{"entity_id": 272, "category": "meat", "category_readable": "Meat", "entity_alias": "chicken", "entity_alias_basket": "chicken, chicken-boiled, chicken-broth, chicken-cooked, chicken-fat, chicken-fried, chicken-liver, chicken-roasted", "entity_alias_readable": "Chicken", "entity_alias_synonyms": "Chicken", "entity_alias_url": "https://en.wikipedia.org/wiki/Chicken", "natural_source_name": "Fowl", "natural_source_url": "https://en.wikipedia.org/wiki/Fowl", "molecules": [{"pubchem_id": 5367531, "iupac_name": "(2E,4E)-undeca-2,4-dienal", "common_name": "(2E,4E)-Undeca-2,4-dienal", "smile": "CCCCCCC=CC=CC=O", "molecular_weight": 166.264, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 145.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 166.136, "exact_mass": 166.136, "xlogp": "3.8", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "30361-29-6@13162-46-4", "fema_number": "3422", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3/b8-7+,10-9+", "volume3d": "152.6", "fooddb_flavor_profile": "caramellic@spicy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003426", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramellic@spicy"}, {"pubchem_id": 20083, "iupac_name": "octan-2-ol", "common_name": "Octan-2-ol", "smile": "CCCCCCC(C)O", "molecular_weight": 130.231, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 52.5, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 130.136, "exact_mass": 130.136, "xlogp": "2.9", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-96-6@4128-31-8@25339-16-6", "fema_number": "2801", "fema_flavor_profile": "Fat, Mushroom", "odor": "characteristically disagreeable, but aromatic", "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3", "volume3d": "118.9", "fooddb_flavor_profile": "fat@herbal@fresh@earthy@woody@mushroom@spicy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003342", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fat@herbal@fresh@earthy@woody@mushroom@spicy@green"}, {"pubchem_id": 5283349, "iupac_name": "(2E,4E)-deca-2,4-dienal", "common_name": "(2E,4E)-deca-2,4-dienal", "smile": "CCCCCC=CC=CC=O", "molecular_weight": 152.237, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 134.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 152.12, "exact_mass": 152.12, "xlogp": "3.2", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "25152-84-5@2363-88-4@30551-18-9", "fema_number": "3135", "fema_flavor_profile": "Coriander, Deep Fried, Fat, Oil, Oxidized", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+", "volume3d": "139.4", "fooddb_flavor_profile": "citrus@orange@nut@wax@meat@fat@fresh@fatty@oily@cucumber@sweet@melon@pumpkin@fried@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015510", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@orange@nut@wax@meat@fat@fresh@fatty@oily@cucumber@sweet@melon@pumpkin@fried@green"}, {"pubchem_id": 7501, "iupac_name": "styrene", "common_name": "Styrene", "smile": "C=CC1=CC=CC=C1", "molecular_weight": 104.152, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 68.1, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 104.063, "exact_mass": 104.063, "xlogp": "2.9", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "9003-53-6@100-42-5@98444-30-5@68441-35-0@12770-88-6", "fema_number": null, "fema_flavor_profile": null, "odor": "extremely penetrating@an aromatic odor@sweet, floral odor@if pure, sweet and pleasant, but usually contains aldehydes that have a typical penetrating smell, sharp, sweet, and unpleasant.", "taste": null, "functional_groups": "alkene@aromatic compound", "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2", "volume3d": "90.9", "fooddb_flavor_profile": "balsamic@gasoline@floral@sweet@balsam@plastic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012552", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "balsamic@gasoline@floral@sweet@balsam@plastic"}, {"pubchem_id": 7363, "iupac_name": "furan-2-ylmethanethiol", "common_name": "Furfuryl mercaptan", "smile": "C1=COC(=C1)CS", "molecular_weight": 114.162, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 56.0, "topological_polor_surfacearea": 14.1, "monoisotopic_mass": 114.014, "exact_mass": 114.014, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "98-02-2", "fema_number": "2493", "fema_flavor_profile": "Coffee, Roasted Meat", "odor": null, "taste": null, "functional_groups": "thiol (sulfanyl compound)@alkylthiol@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2", "volume3d": "88.6", "fooddb_flavor_profile": "roast@chocolate@burnt@sulfurous@roasted@smoky@sulfury@fishy@oily@fatty@coffee", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010898", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@chocolate@burnt@sulfurous@roasted@smoky@sulfury@fishy@oily@fatty@coffee"}, {"pubchem_id": 5352461, "iupac_name": "[(E)-hex-2-enyl] butanoate", "common_name": "trans-2-Hexenyl butyrate", "smile": "CCCC=CCOC(=O)CCC", "molecular_weight": 170.252, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 7, "complexity": 139.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 170.131, "exact_mass": 170.131, "xlogp": "2.8", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "53398-83-7", "fema_number": "3926", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+", "volume3d": "149.3", "fooddb_flavor_profile": "apple@banana@fruity@orchid@grassy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013094", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@banana@fruity@orchid@grassy@green"}, {"pubchem_id": 643731, "iupac_name": "(2E,6Z)-nona-2,6-dienal", "common_name": "Violet leaf aldehyde", "smile": "CCC=CCCC=CC=O", "molecular_weight": 138.21, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 123.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 138.104, "exact_mass": 138.104, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "557-48-2@26370-28-5", "fema_number": "3377", "fema_flavor_profile": "Cucumber, Green, Wax", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+", "volume3d": "125.8", "fooddb_flavor_profile": "wax@fatty@cucumber@dry@leaf@violet@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012040", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "wax@fatty@cucumber@dry@leaf@violet@green"}, {"pubchem_id": 985, "iupac_name": "hexadecanoic acid", "common_name": "palmitic acid", "smile": "CCCCCCCCCCCCCCCC(=O)O", "molecular_weight": 256.43, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 14, "complexity": 178.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 256.24, "exact_mass": 256.24, "xlogp": "6.4", "charge": 0, "heavy_atom_count": 18, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "159733-92-3@57-10-3@67701-02-4", "fema_number": "2832", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)", "volume3d": "229.5", "fooddb_flavor_profile": "fatty@slightly waxy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011679", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@slightly waxy"}, {"pubchem_id": 169110, "iupac_name": "1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone", "common_name": "2-Acetyl-2-thiazoline", "smile": "CC(=O)C1=NCCS1", "molecular_weight": 129.177, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 1, "complexity": 141.0, "topological_polor_surfacearea": 54.7, "monoisotopic_mass": 129.025, "exact_mass": 129.025, "xlogp": "0.2", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "29926-41-8", "fema_number": "3817", "fema_flavor_profile": "Caramel, Popcorn, Roast", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@carboxylic acid derivative@imidothioester@sulfenic acid derivative@heterocyclic compound", "inchi": "InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3", "volume3d": "99.0", "fooddb_flavor_profile": "roast@taco@potato@toasted@bread@nutty@popcorn@corn@chip", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011630", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@taco@potato@toasted@bread@nutty@popcorn@corn@chip"}, {"pubchem_id": 18554, "iupac_name": "2-ethylfuran", "common_name": "2-Ethylfuran", "smile": "CCC1=CC=CO1", "molecular_weight": 96.129, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 52.1, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 96.058, "exact_mass": 96.058, "xlogp": "2.4", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3208-16-0", "fema_number": "3673", "fema_flavor_profile": "Butter, Caramel", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3", "volume3d": "83.5", "fooddb_flavor_profile": "earthy@sweet@burnt@malty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB020370", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "earthy@sweet@burnt@malty"}, {"pubchem_id": 1123, "iupac_name": "2-aminoethanesulfonic acid", "common_name": "taurine", "smile": "C(CS(=O)(=O)O)N", "molecular_weight": 125.142, "hbd_count": 2, "hba_count": 4, "num_rotatablebonds": 2, "complexity": 120.0, "topological_polor_surfacearea": 88.8, "monoisotopic_mass": 125.015, "exact_mass": 125.015, "xlogp": "-4.1", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "107-35-7", "fema_number": "3813", "fema_flavor_profile": null, "odor": "odorless@almost odorless", "taste": "slightly acidic taste", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@sulfonic acid derivative@sulfonic acid", "inchi": "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)", "volume3d": "83.9", "fooddb_flavor_profile": "bland@bitter", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "747", "fooddb_id": "FDB003191", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bland@bitter"}, {"pubchem_id": 7714, "iupac_name": "5-heptyloxolan-2-one", "common_name": "Gamma-undecalactone", "smile": "CCCCCCCC1CCC(=O)O1", "molecular_weight": 184.279, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 154.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 184.146, "exact_mass": 184.146, "xlogp": "3.3", "charge": 0, "heavy_atom_count": 13, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "104-67-6", "fema_number": "3091", "fema_flavor_profile": "Apricot, Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3", "volume3d": "158.7", "fooddb_flavor_profile": "peach@coconut@lactonic@apricot@fatty@creamy@fruity@ketonic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008394", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@coconut@lactonic@apricot@fatty@creamy@fruity@ketonic"}, {"pubchem_id": 9261, "iupac_name": "pyrazine", "common_name": "Pyrazine", "smile": "C1=CN=CC=N1", "molecular_weight": 80.09, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 26.5, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 80.037, "exact_mass": 80.037, "xlogp": "-0.2", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "290-37-9", "fema_number": "4015", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H", "volume3d": "64.9", "fooddb_flavor_profile": "hazelnut@roasted@barley@sweet corn@pungent", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012468", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "hazelnut@roasted@barley@sweet corn@pungent"}, {"pubchem_id": 31246, "iupac_name": "heptan-4-one", "common_name": "4-Heptanone", "smile": "CCCC(=O)CCC", "molecular_weight": 114.188, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 58.8, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 114.104, "exact_mass": 114.104, "xlogp": "1.6", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-19-3", "fema_number": "2546", "fema_flavor_profile": "Fruit", "odor": "pleasant odor", "taste": "burning taste", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3", "volume3d": "104.2", "fooddb_flavor_profile": "pineapple@strawberry@sweet@fruity@peanut@cognac@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008059", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "pineapple@strawberry@sweet@fruity@peanut@cognac@cheese"}, {"pubchem_id": 62897, "iupac_name": "2-prop-1-en-2-ylpyrazine", "common_name": "Isopropenylpyrazine", "smile": "CC(=C)C1=NC=CN=C1", "molecular_weight": 120.155, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 110.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 120.069, "exact_mass": 120.069, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "38713-41-6", "fema_number": "3296", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "alkene@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3", "volume3d": "100.8", "fooddb_flavor_profile": "nutty@caramellic@chocolate@roasted", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016129", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nutty@caramellic@chocolate@roasted"}, {"pubchem_id": 8052, "iupac_name": "3-methylbutyl formate", "common_name": "Isopentyl formate", "smile": "CC(C)CCOC=O", "molecular_weight": 116.16, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 59.5, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 116.084, "exact_mass": 116.084, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "110-45-2", "fema_number": "2069", "fema_flavor_profile": "Apple", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3", "volume3d": "98.9", "fooddb_flavor_profile": "blackcurrant@ethereal@vinous@green@earthy@fruit@plum@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012449", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "blackcurrant@ethereal@vinous@green@earthy@fruit@plum@dry"}, {"pubchem_id": 8027, "iupac_name": "1H-pyrrole", "common_name": "Pyrrole", "smile": "C1=CNC=C1", "molecular_weight": 67.091, "hbd_count": 1, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 22.8, "topological_polor_surfacearea": 15.8, "monoisotopic_mass": 67.042, "exact_mass": 67.042, "xlogp": "0.7", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "109-97-7@30604-81-0@16199-06-7", "fema_number": "3386", "fema_flavor_profile": "Nut", "odor": "agreeable empyreumatic odor resembling that of chloroform", "taste": "burning, pungent taste", "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H", "volume3d": "58.2", "fooddb_flavor_profile": "ethereal@nutty@sweet@warm", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014718", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@nutty@sweet@warm"}, {"pubchem_id": 6140, "iupac_name": "(2S)-2-amino-3-phenylpropanoic acid", "common_name": "L-phenylalanine", "smile": "C1=CC=C(C=C1)CC(C(=O)O)N", "molecular_weight": 165.192, "hbd_count": 2, "hba_count": 3, "num_rotatablebonds": 3, "complexity": 153.0, "topological_polor_surfacearea": 63.3, "monoisotopic_mass": 165.079, "exact_mass": 165.079, "xlogp": "-1.5", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "63-91-2", "fema_number": "3585", "fema_flavor_profile": null, "odor": "slight", "taste": "bitter", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@aromatic compound@alpha-aminoacid", "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1", "volume3d": "132.1", "fooddb_flavor_profile": "odorless@bitter", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "752", "fooddb_id": "FDB014705", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless@bitter"}, {"pubchem_id": 5321950, "iupac_name": "(E)-2-methylbut-2-enal", "common_name": "Tiglic aldehyde", "smile": "CC=C(C)C=O", "molecular_weight": 84.118, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 72.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 84.058, "exact_mass": 84.058, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "6038-09-1@497-03-0@1115-11-3", "fema_number": "3407", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+", "volume3d": "76.0", "fooddb_flavor_profile": "ethereal@anisic@fruit@pungent@fruity@nutty@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008133", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@anisic@fruit@pungent@fruity@nutty@green"}, {"pubchem_id": 878, "iupac_name": "methanethiol", "common_name": "methanethiol", "smile": "CS", "molecular_weight": 48.103, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 2.0, "topological_polor_surfacearea": 1.0, "monoisotopic_mass": 48.003, "exact_mass": 48.003, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 2, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "74-93-1", "fema_number": "2716", "fema_flavor_profile": "Cabbage, Garlic, Pungent, Sulfur", "odor": "odor of rotten cabbage@sulfidy@powerful, unpleasant odor@disagreeable odor like garlic@pungent, decayed cabbage.", "taste": "unpleasant cabbage taste", "functional_groups": "thiol (sulfanyl compound)@alkylthiol", "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3", "volume3d": "38.8", "fooddb_flavor_profile": "sulfur@garlic@gasoline@decomposing cabbage", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011886", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@garlic@gasoline@decomposing cabbage"}, {"pubchem_id": 12230, "iupac_name": "methylsulfanylethane", "common_name": "Ethyl methyl sulfide", "smile": "CCSC", "molecular_weight": 76.157, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 7.2, "topological_polor_surfacearea": 25.3, "monoisotopic_mass": 76.035, "exact_mass": 76.035, "xlogp": "1.5", "charge": 0, "heavy_atom_count": 4, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "624-89-5", "fema_number": "3860", "fema_flavor_profile": "Garlic, Sulfur", "odor": null, "taste": null, "functional_groups": "thioether", "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3", "volume3d": "65.6", "fooddb_flavor_profile": "sulfur@garlic@vegetable@sulfury@fatty@earthy@woody@nutty@wine_like@meaty@spicy@citrus@sulfurous@coffee@herbaceous@green@cabbage@pyridine@tomato@fishy@floral@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003265", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@garlic@vegetable@sulfury@fatty@earthy@woody@nutty@wine_like@meaty@spicy@citrus@sulfurous@coffee@herbaceous@green@cabbage@pyridine@tomato@fishy@floral@fruity"}, {"pubchem_id": 5283356, "iupac_name": "(E)-undec-2-enal", "common_name": "2-Undecenal", "smile": "CCCCCCCCC=CC=O", "molecular_weight": 168.28, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 116.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 168.151, "exact_mass": 168.151, "xlogp": "4.2", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1337-83-3@2463-77-6@53448-07-0", "fema_number": "3423", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+", "volume3d": "154.7", "fooddb_flavor_profile": "citrus@soap@orange peel@fat@fresh@sweet@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019963", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@soap@orange peel@fat@fresh@sweet@fruity@green"}, {"pubchem_id": 1616260, "iupac_name": "(Z)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one", "common_name": "23726-92-3", "smile": "CC=CC(=O)C1=C(CCCC1(C)C)C", "molecular_weight": 192.302, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 292.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 192.151, "exact_mass": 192.151, "xlogp": "3.5", "charge": 0, "heavy_atom_count": 14, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "23726-92-3", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5-", "volume3d": "166.1", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 402, "iupac_name": "sulfane", "common_name": "hydrogen sulfide", "smile": "S", "molecular_weight": 34.076, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 0.0, "topological_polor_surfacearea": 1.0, "monoisotopic_mass": 33.988, "exact_mass": 33.988, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 1, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "7783-06-4@37331-50-3", "fema_number": "3779", "fema_flavor_profile": null, "odor": "pure sulfur is odorless, but traces of hydrocarbon impurity may impart an oily and/or rotten egg odor", "taste": "faint taste@tasteless", "functional_groups": null, "inchi": "InChI=1S/H2S/h1H2", "volume3d": "24.4", "fooddb_flavor_profile": "egg@rotten", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009599", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "egg@rotten"}, {"pubchem_id": 5283339, "iupac_name": "(2E,4E)-nona-2,4-dienal", "common_name": "trans,trans-2,4-Nonadienal", "smile": "CCCCC=CC=CC=O", "molecular_weight": 138.21, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 123.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 138.104, "exact_mass": 138.104, "xlogp": "2.7", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "30551-17-8@5910-87-2@6750-03-4", "fema_number": "3212", "fema_flavor_profile": "Cereal, Deep Fried, Fat, Watermelon, Wet Wool", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+", "volume3d": "126.4", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 10430, "iupac_name": "3-methylbutanoic acid", "common_name": "Isovaleric Acid", "smile": "CC(C)CC(=O)O", "molecular_weight": 102.133, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 66.5, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 102.068, "exact_mass": 102.068, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "35915-22-1@503-74-2", "fema_number": "3102", "fema_flavor_profile": "Cheese, Pungent", "odor": "disagreeable, rancid-cheese odor", "taste": "acid taste", "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)", "volume3d": "85.8", "fooddb_flavor_profile": "sour@sweat@acid@stinky@sweaty@animal@rancid@tropical@feet@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB001324", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sour@sweat@acid@stinky@sweaty@animal@rancid@tropical@feet@cheese"}, {"pubchem_id": 7802, "iupac_name": "heptan-3-one", "common_name": "3-Heptanone", "smile": "CCCCC(=O)CC", "molecular_weight": 114.188, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 66.8, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 114.104, "exact_mass": 114.104, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "106-35-4", "fema_number": "2545", "fema_flavor_profile": "Cool", "odor": "green odor@powerful, fruity odor", "taste": "melon, banana flavor", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3", "volume3d": "103.9", "fooddb_flavor_profile": "fatty@powerful@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008058", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@powerful@fruity@green"}, {"pubchem_id": 14079, "iupac_name": "1-(1H-pyrrol-2-yl)ethanone", "common_name": "2-Acetylpyrrole", "smile": "CC(=O)C1=CC=CN1", "molecular_weight": 109.128, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 101.0, "topological_polor_surfacearea": 32.9, "monoisotopic_mass": 109.053, "exact_mass": 109.053, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1072-83-9", "fema_number": "3202", "fema_flavor_profile": "Bread, Cocoa, Hazelnut, Licorice, Walnut", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3", "volume3d": "90.1", "fooddb_flavor_profile": "nut@licorice@coumarin@bread@musty@nutty@walnut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014664", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nut@licorice@coumarin@bread@musty@nutty@walnut"}, {"pubchem_id": 644104, "iupac_name": "(2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one", "common_name": "CID 644104", "smile": "C(C(C1C(=O)C(=C(O1)O)O)O)O", "molecular_weight": 176.124, "hbd_count": 4, "hba_count": 6, "num_rotatablebonds": 2, "complexity": 232.0, "topological_polor_surfacearea": 107.0, "monoisotopic_mass": 176.032, "exact_mass": 176.032, "xlogp": "-1.8", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 2, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": null, "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@hydroxy compound@alcohol@primary alcohol@secondary alcohol@1,2-diol@heterocyclic compound", "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m1/s1", "volume3d": "120.2", "fooddb_flavor_profile": "grassy@very mild", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB001224", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "grassy@very mild"}, {"pubchem_id": 8914, "iupac_name": "nonan-1-ol", "common_name": "1-Nonanol", "smile": "CCCCCCCCCO", "molecular_weight": 144.258, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 52.7, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 144.151, "exact_mass": 144.151, "xlogp": "4.3", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "143-08-8@28473-21-4", "fema_number": "2789", "fema_flavor_profile": "Fat, Floral, Green, Oil", "odor": "floral odor@odor of citronella oil", "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", "volume3d": "132.5", "fooddb_flavor_profile": "orange@rose@wet@fat@fresh@bitter@fatty@floral@oily@clean@dusty@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "770", "fooddb_id": "FDB003307", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@dusty@rose@fat@floral@green@clean@wet@orange@fresh@bitter@oily"}, {"pubchem_id": 10976, "iupac_name": "heptan-2-ol", "common_name": "2-Heptanol", "smile": "CCCCCC(C)O", "molecular_weight": 116.204, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 43.7, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 116.12, "exact_mass": 116.12, "xlogp": "2.3", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "543-49-7@52390-72-4", "fema_number": "3288", "fema_flavor_profile": "Citrus, Earth, Fried, Mushroom, Oil", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3", "volume3d": "105.9", "fooddb_flavor_profile": "lemon@grass@herbal@fresh@bitter@floral@sweet@fruity@mushroom@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "729", "fooddb_id": "FDB012157", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@mushroom@sweet@floral@green@herbal@fresh@grass@bitter@fruity"}, {"pubchem_id": 17100, "iupac_name": "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol", "common_name": "alpha-TERPINEOL", "smile": "CC1=CCC(CC1)C(C)(C)O", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 168.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "8000-41-7@10482-56-1@2438-12-2@98-55-5", "fema_number": "3045", "fema_flavor_profile": "Anise, Fresh, Mint, Oil", "odor": "floral, lilac", "taste": "lime (distilled)@peach, floral (lilac) flavor@sweet, lime taste", "functional_groups": "hydroxy compound@alcohol@tertiary alcohol@alkene", "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3", "volume3d": "132.2", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 7895, "iupac_name": "pentan-2-one", "common_name": "2-Pentanone", "smile": "CCCC(=O)C", "molecular_weight": 86.134, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 47.9, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "107-87-9", "fema_number": "2842", "fema_flavor_profile": "Fruit, Pungent", "odor": "characteristic acetone-like odor", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", "volume3d": "78.3", "fooddb_flavor_profile": "potato@alcohol@ether@ethereal@wine@banana@fishy@fruit@sweet@woody@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012547", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "potato@alcohol@ether@ethereal@wine@banana@fishy@fruit@sweet@woody@fruity"}, {"pubchem_id": 5363229, "iupac_name": "(E)-oct-3-en-2-one", "common_name": "3-Octen-2-One", "smile": "CCCCC=CC(=O)C", "molecular_weight": 126.199, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 103.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 126.104, "exact_mass": 126.104, "xlogp": "2.3", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1669-44-9", "fema_number": "3416", "fema_flavor_profile": "Dull, Green, Nut, Rose", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+", "volume3d": "115.2", "fooddb_flavor_profile": "crushed bug@nut@herbal@earthy@hay@sweet@blueberry@mushroom@spicy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011611", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "crushed bug@nut@herbal@earthy@hay@sweet@blueberry@mushroom@spicy"}, {"pubchem_id": 61663, "iupac_name": "5-methylthiophene-2-carbaldehyde", "common_name": "13679-70-4", "smile": "CC1=CC=C(S1)C=O", "molecular_weight": 126.173, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 92.5, "topological_polor_surfacearea": 45.3, "monoisotopic_mass": 126.014, "exact_mass": 126.014, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "13679-70-4", "fema_number": "3209", "fema_flavor_profile": "Sulfur", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3", "volume3d": "98.5", "fooddb_flavor_profile": "sulfur@acetophenone@sweet@woody@cherry@almond@furfural", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009874", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@acetophenone@sweet@woody@cherry@almond@furfural"}, {"pubchem_id": 18698, "iupac_name": "6-butyloxan-2-one", "common_name": "Delta-Nonalactone", "smile": "CCCCC1CCCC(=O)O1", "molecular_weight": 156.225, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 132.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 156.115, "exact_mass": 156.115, "xlogp": "2.4", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3301-94-8", "fema_number": "3356", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3", "volume3d": "131.0", "fooddb_flavor_profile": "coconut@coumarin@milky@creamy@sweet", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008107", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@coumarin@milky@creamy@sweet"}, {"pubchem_id": 19603, "iupac_name": "2-heptylfuran", "common_name": "2-Heptylfuran", "smile": "CCCCCCCC1=CC=CO1", "molecular_weight": 166.264, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 101.0, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 166.136, "exact_mass": 166.136, "xlogp": "4.7", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3777-71-7", "fema_number": "3401", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3", "volume3d": "147.8", "fooddb_flavor_profile": "lactonic@roasted@fatty@oily@nutty@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015044", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lactonic@roasted@fatty@oily@nutty@green"}, {"pubchem_id": 7938, "iupac_name": "2,6-dimethylpyrazine", "common_name": "2,6-Dimethylpyrazine", "smile": "CC1=CN=CC(=N1)C", "molecular_weight": 108.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 64.9, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 108.069, "exact_mass": 108.069, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "108-50-9", "fema_number": "3273", "fema_flavor_profile": "Cocoa, Coffee, Green, Roast Beef, Roasted Nut", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3", "volume3d": "90.5", "fooddb_flavor_profile": "roast beef@roasted nuts@coffee@cocoa@roasted nut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013908", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast beef@roasted nuts@coffee@cocoa@roasted nut"}, {"pubchem_id": 7762, "iupac_name": "ethyl butanoate", "common_name": "Ethyl Butyrate", "smile": "CCCC(=O)OCC", "molecular_weight": 116.16, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 68.9, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 116.084, "exact_mass": 116.084, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "105-54-4", "fema_number": "2427", "fema_flavor_profile": "Apple, Butter, Cheese, Pineapple, Strawberry", "odor": "pineapple odor", "taste": "sweet, pineapple taste@can be tasted in water at a level of 0.450 ppm and at 0.015 ppm in milk", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3", "volume3d": "99.7", "fooddb_flavor_profile": "apple@pineapple@banana@fruit@fruity@juicy@cognac", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012082", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@pineapple@banana@fruit@fruity@juicy@cognac"}, {"pubchem_id": 8858, "iupac_name": "4-methylpent-3-en-2-one", "common_name": "Mesityl Oxide", "smile": "CC(=CC(=O)C)C", "molecular_weight": 98.145, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 96.7, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 98.073, "exact_mass": 98.073, "xlogp": "1.4", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "141-79-7", "fema_number": "3368", "fema_flavor_profile": null, "odor": "... spearmint ...@commercial grade exhibits an unpleasant odor@peppermint- or honey-like odor", "taste": "oily taste", "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3", "volume3d": "88.8", "fooddb_flavor_profile": "acrylic@vegetable@chemical@earthy@sweet@pungent", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008178", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "acrylic@vegetable@chemical@earthy@sweet@pungent"}, {"pubchem_id": 7848, "iupac_name": "propane-1-thiol", "common_name": "1-Propanethiol", "smile": "CCCS", "molecular_weight": 76.157, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 7.2, "topological_polor_surfacearea": 1.0, "monoisotopic_mass": 76.035, "exact_mass": 76.035, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 4, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "79869-58-2@107-03-9", "fema_number": "3521", "fema_flavor_profile": "Cabbage, Onion", "odor": "offensive@characteristic odor of cabbage", "taste": "below 2-3 ppm sweet onion & cabbage-like flavor", "functional_groups": "thiol (sulfanyl compound)@alkylthiol", "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3", "volume3d": "63.4", "fooddb_flavor_profile": "cabbage@onion@sweet@gassy@natural", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012550", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cabbage@onion@sweet@gassy@natural"}, {"pubchem_id": 8438, "iupac_name": "1,3-benzodioxole-5-carbaldehyde", "common_name": "Piperonal", "smile": "C1OC2=C(O1)C=C(C=C2)C=O", "molecular_weight": 150.133, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 1, "complexity": 157.0, "topological_polor_surfacearea": 35.5, "monoisotopic_mass": 150.032, "exact_mass": 150.032, "xlogp": "1.1", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "120-57-0", "fema_number": "2911", "fema_flavor_profile": "Anise", "odor": "floral odor", "taste": "bittersweet taste", "functional_groups": "carbonyl compound@aldehyde@acetal@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2", "volume3d": "113.5", "fooddb_flavor_profile": "coconut@powdery@vanilla@heliotrope@bitter@sweet@violet@flower", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "765", "fooddb_id": "FDB010553", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@heliotrope@powdery@sweet@vanilla@flower@violet@bitter"}, {"pubchem_id": 12756, "iupac_name": "5-ethyloxolan-2-one", "common_name": "gamma-Caprolactone", "smile": "CCC1CCC(=O)O1", "molecular_weight": 114.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 98.7, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 114.068, "exact_mass": 114.068, "xlogp": "0.7", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "695-06-7", "fema_number": "2556", "fema_flavor_profile": "Onion", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3", "volume3d": "93.8", "fooddb_flavor_profile": "coconut@tobacco@coumarin@herbal@sweet", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008075", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@tobacco@coumarin@herbal@sweet"}, {"pubchem_id": 5364941, "iupac_name": "(E)-non-2-en-1-ol", "common_name": "trans-2-Nonen-1-ol", "smile": "CCCCCCC=CCO", "molecular_weight": 142.242, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 76.8, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 142.136, "exact_mass": 142.136, "xlogp": "3.0", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "22104-79-6@31502-14-4", "fema_number": "3379", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+", "volume3d": "130.4", "fooddb_flavor_profile": "violet@melon@waxy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021469", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "violet@melon@waxy@green"}, {"pubchem_id": 8094, "iupac_name": "heptanoic acid", "common_name": "Heptanoic Acid", "smile": "CCCCCCC(=O)O", "molecular_weight": 130.187, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 5, "complexity": 79.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 130.099, "exact_mass": 130.099, "xlogp": "2.5", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "111-14-8", "fema_number": "3348", "fema_flavor_profile": "Apricot, Floral, Sour", "odor": "disagreeable, rancid odor@faint tallow-like odor when spectroscopically pure.", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)", "volume3d": "112.3", "fooddb_flavor_profile": "sour@cheesy@sweat@rancid@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008051", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sour@cheesy@sweat@rancid@cheese"}, {"pubchem_id": 12178, "iupac_name": "hexan-3-ol", "common_name": "3-Hexanol", "smile": "CCCC(CC)O", "molecular_weight": 102.177, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 35.2, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 102.104, "exact_mass": 102.104, "xlogp": "1.7", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "623-37-0", "fema_number": "3351", "fema_flavor_profile": "Solvent, Spice, Wine", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3", "volume3d": "92.7", "fooddb_flavor_profile": "alcoholic@alcohol@ether@medicinal", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008073", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "alcoholic@alcohol@ether@medicinal"}, {"pubchem_id": 11005, "iupac_name": "tetradecanoic acid", "common_name": "Tetradecanoic acid", "smile": "CCCCCCCCCCCCCC(=O)O", "molecular_weight": 228.376, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 12, "complexity": 155.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 228.209, "exact_mass": 228.209, "xlogp": "5.3", "charge": 0, "heavy_atom_count": 16, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "544-63-8", "fema_number": "2764", "fema_flavor_profile": "Burnt, Cheese, Harsh, Oil", "odor": "the odor should be faint with no rancidity.", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)", "volume3d": "203.4", "fooddb_flavor_profile": "fatty@soapy@waxy@coconut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002890", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@soapy@waxy@coconut"}, {"pubchem_id": 19707, "iupac_name": "hexane-2,3-dione", "common_name": "2,3-Hexanedione", "smile": "CCCC(=O)C(=O)C", "molecular_weight": 114.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 105.0, "topological_polor_surfacearea": 34.1, "monoisotopic_mass": 114.068, "exact_mass": 114.068, "xlogp": "0.4", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3848-24-6", "fema_number": "2558", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3", "volume3d": "96.7", "fooddb_flavor_profile": "butter@caramel@oily@fatty@sweet@creamy@fruity@phenolic@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008070", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@caramel@oily@fatty@sweet@creamy@fruity@phenolic@dry"}, {"pubchem_id": 26335, "iupac_name": "2-ethenyl-5-methylpyrazine", "common_name": "2-Methyl-5-Vinylpyrazine", "smile": "CC1=NC=C(N=C1)C=C", "molecular_weight": 120.155, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 101.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 120.069, "exact_mass": 120.069, "xlogp": "1.0", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "13925-08-1", "fema_number": "3211", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "alkene@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H8N2/c1-3-7-5-8-6(2)4-9-7/h3-5H,1H2,2H3", "volume3d": "100.9", "fooddb_flavor_profile": "coffee", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016301", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coffee"}, {"pubchem_id": 14896, "iupac_name": "6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane", "common_name": "Beta-Pinene", "smile": "CC1(C2CCC(=C)C1C2)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 177.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.1", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 2, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "127-91-3@25719-60-2@127-91-3, 18172-67-3", "fema_number": "2903", "fema_flavor_profile": "Pine, Polish, Wood", "odor": "characteristic turpentine odor@dry, woody or resinous aroma@piney, turpentine-like odor@terpene odor", "taste": "piney, turpentine-like taste", "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3", "volume3d": "119.6", "fooddb_flavor_profile": "resinous@resin@turpentine@green@hay@woody@pine@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015464", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "resinous@resin@turpentine@green@hay@woody@pine@dry"}, {"pubchem_id": 11747, "iupac_name": "pentane-2,3-dione", "common_name": "2,3-Pentanedione", "smile": "CCC(=O)C(=O)C", "molecular_weight": 100.117, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 94.3, "topological_polor_surfacearea": 34.1, "monoisotopic_mass": 100.052, "exact_mass": 100.052, "xlogp": "0.1", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "600-14-6", "fema_number": "2841", "fema_flavor_profile": null, "odor": "somewhat sweet odor similar to quinone ... detection: 20 ppb. aroma characteristics at 1.0%: buttery diacytl-like, fermented dairy and creamy, popcorn buttery", "taste": "penetrating buttery taste on dilution...taste characteristics at 1 to 5 ppm: sweet buttery, creamy, cheesy, slightly toasted dairy, with a rich baked goods nuance and good mouth feel", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3", "volume3d": "83.9", "fooddb_flavor_profile": "butter@cream@caramel@sweet@pungent@creamy@nutty@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008229", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@cream@caramel@sweet@pungent@creamy@nutty@cheese"}, {"pubchem_id": 996, "iupac_name": "phenol", "common_name": "phenol", "smile": "C1=CC=C(C=C1)O", "molecular_weight": 94.113, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 46.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 94.042, "exact_mass": 94.042, "xlogp": "1.5", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "63496-48-0@61788-41-8@73607-76-8@65996-83-0@108-95-2@84650-60-2@27073-41-2@68071-29-4", "fema_number": "3223", "fema_flavor_profile": null, "odor": "distinct aromatic, somewhat sickening sweet and acrid odor, discernable at 0.5 to 5 ppm@sweet, tarry odor@somewhat sickeningly sweet and acrid", "taste": "sharp, burning taste@when in very weak solution it has a sweetish taste.", "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@aromatic compound", "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H", "volume3d": "79.5", "fooddb_flavor_profile": "phenol@plastic@rubber@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000893", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "phenol@plastic@rubber@phenolic"}, {"pubchem_id": 15394, "iupac_name": "pent-1-en-3-one", "common_name": "Ethyl Vinyl Ketone", "smile": "CCC(=O)C=C", "molecular_weight": 84.118, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 64.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 84.058, "exact_mass": 84.058, "xlogp": "1.0", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1629-58-9", "fema_number": "3382", "fema_flavor_profile": "Fish, Green, Mustard, Pungent", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3", "volume3d": "76.1", "fooddb_flavor_profile": "peppery@mustard@garlic@onion@fish@pungent", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008243", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peppery@mustard@garlic@onion@fish@pungent"}, {"pubchem_id": 15037, "iupac_name": "1-(furan-2-ylmethyl)pyrrole", "common_name": "1-Furfurylpyrrole", "smile": "C1=CN(C=C1)CC2=CC=CO2", "molecular_weight": 147.177, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 121.0, "topological_polor_surfacearea": 18.1, "monoisotopic_mass": 147.068, "exact_mass": 147.068, "xlogp": "1.4", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1438-94-4", "fema_number": "3284", "fema_flavor_profile": "Cocoa, Green, Roast", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2", "volume3d": "121.5", "fooddb_flavor_profile": "vegetable@waxy@plastic@coffee@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002022", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "vegetable@waxy@plastic@coffee@fruity@green"}, {"pubchem_id": 20861, "iupac_name": "4-ethylbenzaldehyde", "common_name": "4-Ethylbenzaldehyde", "smile": "CCC1=CC=C(C=C1)C=O", "molecular_weight": 134.178, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 101.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 134.073, "exact_mass": 134.073, "xlogp": "2.4", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "4748-78-1", "fema_number": "3756", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@aromatic compound", "inchi": "InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3", "volume3d": "116.1", "fooddb_flavor_profile": "sweet@almond@bitter", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008722", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sweet@almond@bitter"}, {"pubchem_id": 6274, "iupac_name": "(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid", "common_name": "L-histidine", "smile": "C1=C(NC=N1)CC(C(=O)O)N", "molecular_weight": 155.157, "hbd_count": 3, "hba_count": 4, "num_rotatablebonds": 3, "complexity": 151.0, "topological_polor_surfacearea": 92.0, "monoisotopic_mass": 155.069, "exact_mass": 155.069, "xlogp": "-3.2", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "71-00-1@26062-48-6", "fema_number": "3694", "fema_flavor_profile": null, "odor": null, "taste": "sweet", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@aromatic compound@heterocyclic compound@alpha-aminoacid", "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1", "volume3d": "117.2", "fooddb_flavor_profile": "odorless@bitter", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "705", "fooddb_id": "FDB011856", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless@bitter"}, {"pubchem_id": 20819, "iupac_name": "disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate", "common_name": "Disodium 5'-inosinate", "smile": "C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]", "molecular_weight": 392.171, "hbd_count": 3, "hba_count": 9, "num_rotatablebonds": 3, "complexity": 544.0, "topological_polor_surfacearea": 181.0, "monoisotopic_mass": 392.011, "exact_mass": 392.011, "xlogp": null, "charge": 0, "heavy_atom_count": 25, "atom_stereo_count": 4, "defined_atom_stereocenter_count": 4, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 3, "cas_id": "4691-65-0@80702-47-2", "fema_number": "3669", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "cation@anion@hydroxy compound@alcohol@secondary alcohol@1,2-diol@oxo(het)arene@phosphoric acid derivative@phosphoric acid ester@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C10H13N4O8P.2Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1", "volume3d": null, "fooddb_flavor_profile": "odorless", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019972", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless"}, {"pubchem_id": 16800, "iupac_name": "2-pentylpyridine", "common_name": "2-Pentylpyridine", "smile": "CCCCCC1=CC=CC=N1", "molecular_weight": 149.237, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 90.9, "topological_polor_surfacearea": 12.9, "monoisotopic_mass": 149.12, "exact_mass": 149.12, "xlogp": "2.9", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "2294-76-0", "fema_number": "3383", "fema_flavor_profile": "Fat", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3", "volume3d": "132.7", "fooddb_flavor_profile": "tallow@pepper@fat@herbal@fatty@mushroom@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013469", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "tallow@pepper@fat@herbal@fatty@mushroom@green"}, {"pubchem_id": 8186, "iupac_name": "undecanal", "common_name": "Undecanal", "smile": "CCCCCCCCCCC=O", "molecular_weight": 170.296, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 9, "complexity": 89.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 170.167, "exact_mass": 170.167, "xlogp": "4.3", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "112-44-7", "fema_number": "3092", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3", "volume3d": "156.1", "fooddb_flavor_profile": "oil@laundry@citrus@waxy@fresh@floral@fatty@sweet@pungent@aldehydic@soapy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002916", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@laundry@citrus@waxy@fresh@floral@fatty@sweet@pungent@aldehydic@soapy@green"}, {"pubchem_id": 27457, "iupac_name": "2-ethyl-3-methylpyrazine", "common_name": "2-Ethyl-3-Methylpyrazine", "smile": "CCC1=NC=CN=C1C", "molecular_weight": 122.171, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 83.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 122.084, "exact_mass": 122.084, "xlogp": "1.1", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "15707-23-0", "fema_number": "3155", "fema_flavor_profile": "Green, Must, Nut, Potato, Roasted", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3", "volume3d": "102.5", "fooddb_flavor_profile": "raw@hazelnut@roast@sweat@potato@bread@musty@earthy@peanut@nutty@corn", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021162", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "raw@hazelnut@roast@sweat@potato@bread@musty@earthy@peanut@nutty@corn"}, {"pubchem_id": 1068, "iupac_name": "methylsulfanylmethane", "common_name": "dimethyl sulfide", "smile": "CSC", "molecular_weight": 62.13, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 2.8, "topological_polor_surfacearea": 25.3, "monoisotopic_mass": 62.019, "exact_mass": 62.019, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 3, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "31533-72-9@75-18-3", "fema_number": "2746", "fema_flavor_profile": "Cabbage, Organic, Sulfur, Wet Earth", "odor": "unpleasant odor of wild radish, cabbage-like", "taste": "characteristic flavor", "functional_groups": "thioether", "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3", "volume3d": "53.0", "fooddb_flavor_profile": "sulfur@sulfurous@cabbage@onion@gasoline@vegetable@sulfury@sweet corn@tomato@radish@wild@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003591", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@sulfurous@cabbage@onion@gasoline@vegetable@sulfury@sweet corn@tomato@radish@wild@green"}, {"pubchem_id": 247, "iupac_name": "2-(trimethylazaniumyl)acetate", "common_name": "betaine", "smile": "C[N+](C)(C)CC(=O)[O-]", "molecular_weight": 117.148, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 87.6, "topological_polor_surfacearea": 40.1, "monoisotopic_mass": 117.079, "exact_mass": 117.079, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "107-43-7@590-46-5", "fema_number": "4223", "fema_flavor_profile": "Savory, Umami", "odor": null, "taste": "sweet", "functional_groups": "cation@anion@quaternary ammonium salt@carboxylic acid derivative@carboxylic acid salt", "inchi": "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3", "volume3d": "97.0", "fooddb_flavor_profile": "bland", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009020", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bland"}, {"pubchem_id": 8175, "iupac_name": "decanal", "common_name": "Decanal", "smile": "CCCCCCCCCC=O", "molecular_weight": 156.269, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 78.9, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 156.151, "exact_mass": 156.151, "xlogp": "3.8", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "112-31-2@112-81-2", "fema_number": "2362", "fema_flavor_profile": "Floral, Fried, Orange Peel, Penetrating, Tallow", "odor": "floral-fatty odor@citrus odor@similar to that of an orange peel@penetrating, sweet, waxy, floral, citrus, pronounced fatty odor that develops a floral character on dilution", "taste": "fatty, citrus-like odor@sharp, orange flavor", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3", "volume3d": "143.3", "fooddb_flavor_profile": "citrus@soap@orange peel@tallow@waxy@floral@sweet@aldehydic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012768", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@soap@orange peel@tallow@waxy@floral@sweet@aldehydic"}, {"pubchem_id": 28905, "iupac_name": "2,3-diethyl-5-methylpyrazine", "common_name": "2,3-Diethyl-5-Methylpyrazine", "smile": "CCC1=NC=C(N=C1CC)C", "molecular_weight": 150.225, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 114.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 150.116, "exact_mass": 150.116, "xlogp": "1.9", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "18138-04-0", "fema_number": "3336", "fema_flavor_profile": "Earth, Meat, Potato, Roast", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3", "volume3d": "127.9", "fooddb_flavor_profile": "roast@citrus@hazelnut@roasted@wine_like@potato@vegetable@meat@fatty@floral@earthy@woody@musty@fruity@herbaceous@nutty@meaty@spicy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021268", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@citrus@hazelnut@roasted@wine_like@potato@vegetable@meat@fatty@floral@earthy@woody@musty@fruity@herbaceous@nutty@meaty@spicy@green"}, {"pubchem_id": 6998, "iupac_name": "2-hydroxybenzaldehyde", "common_name": "Salicylaldehyde", "smile": "C1=CC=C(C(=C1)C=O)O", "molecular_weight": 122.123, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 101.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 122.037, "exact_mass": 122.037, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "90-02-8@28777-87-9", "fema_number": "3004", "fema_flavor_profile": "Almond, Phenol, Pungent, Spice", "odor": "bitter almond-like odor@pungent, irritating odor similar to benzenaldehyde, acetophenone, & nitrobenzene, but with phenolic notes@phenolic odor", "taste": "nut-like, coumarin flavor at low levels@burning taste@spicy, nut taste", "functional_groups": "carbonyl compound@aldehyde@hydroxy compound@phenol or hydroxyhetarene@aromatic compound", "inchi": "InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H", "volume3d": "97.9", "fooddb_flavor_profile": "cooling@medical@wintergreen@spicy@cinnamon", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012456", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cooling@medical@wintergreen@spicy@cinnamon"}, {"pubchem_id": 8007, "iupac_name": "butan-1-amine", "common_name": "Butylamine", "smile": "CCCCN", "molecular_weight": 73.139, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 13.1, "topological_polor_surfacearea": 26.0, "monoisotopic_mass": 73.089, "exact_mass": 73.089, "xlogp": "1.0", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "109-73-9", "fema_number": "3130", "fema_flavor_profile": null, "odor": "amine odor@... fishy, ammonia-like odor.", "taste": null, "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)", "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3", "volume3d": "67.1", "fooddb_flavor_profile": "ammonia@fishy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003380", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ammonia@fishy"}, {"pubchem_id": 22386, "iupac_name": "pentan-2-ol", "common_name": "2-Pentanol", "smile": "CCCC(C)O", "molecular_weight": 88.15, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 27.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 88.089, "exact_mass": 88.089, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "6032-29-7@26635-63-2@51000-78-3@26184-62-3@50858-14-5", "fema_number": "3316", "fema_flavor_profile": "Fusel Oil, Green", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3", "volume3d": "80.1", "fooddb_flavor_profile": "oil@fermented@mild@fusel@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008231", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@fermented@mild@fusel@green"}, {"pubchem_id": 8193, "iupac_name": "dodecan-1-ol", "common_name": "1-Dodecanol", "smile": "CCCCCCCCCCCCO", "molecular_weight": 186.339, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 10, "complexity": 81.2, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 186.198, "exact_mass": 186.198, "xlogp": "5.1", "charge": 0, "heavy_atom_count": 13, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "68551-07-5@112-53-8@27342-88-7@75782-86-4", "fema_number": "2617", "fema_flavor_profile": null, "odor": "characteristic fatty odor@unpleasant at high concn but delicate & floral on dilution@fatty repulsive odor", "taste": "fatty, waxy flavor", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", "volume3d": "171.6", "fooddb_flavor_profile": "coconut@wax@fat@waxy@fatty@earthy@honey@soapy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012483", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@wax@fat@waxy@fatty@earthy@honey@soapy"}, {"pubchem_id": 8452, "iupac_name": "cyclopentanone", "common_name": "Cyclopentanone", "smile": "C1CCC(=O)C1", "molecular_weight": 84.118, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 58.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 84.058, "exact_mass": 84.058, "xlogp": "0.4", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "120-92-3", "fema_number": "3910", "fema_flavor_profile": "Mint, Cool", "odor": "distinctive ethereal odor, somewhat like peppermint", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2", "volume3d": "72.7", "fooddb_flavor_profile": "minty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003481", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "minty"}, {"pubchem_id": 7909, "iupac_name": "4-methylpentan-2-one", "common_name": "4-Methyl-2-pentanone", "smile": "CC(C)CC(=O)C", "molecular_weight": 100.161, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 64.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 100.089, "exact_mass": 100.089, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "108-10-1", "fema_number": "2731", "fema_flavor_profile": null, "odor": "pleasant odor@faint, ketonic and camphor odor", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", "volume3d": "90.8", "fooddb_flavor_profile": "solvent@spice@herbal@sharp@fruity@dairy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008174", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@spice@herbal@sharp@fruity@dairy@green"}, {"pubchem_id": 8180, "iupac_name": "undecanoic acid", "common_name": "Undecanoic Acid", "smile": "CCCCCCCCCCC(=O)O", "molecular_weight": 186.295, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 9, "complexity": 121.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 186.162, "exact_mass": 186.162, "xlogp": "3.7", "charge": 0, "heavy_atom_count": 13, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "112-37-8", "fema_number": "3245", "fema_flavor_profile": "Oil", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)", "volume3d": "164.3", "fooddb_flavor_profile": "oil@coconut@waxy@fatty@creamy@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000700", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@coconut@waxy@fatty@creamy@cheese"}, {"pubchem_id": 9609, "iupac_name": "ethylsulfanylethane", "common_name": "Diethyl sulfide", "smile": "CCSCC", "molecular_weight": 90.184, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 11.1, "topological_polor_surfacearea": 25.3, "monoisotopic_mass": 90.05, "exact_mass": 90.05, "xlogp": "1.9", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "352-93-2@68990-36-3", "fema_number": "3825", "fema_flavor_profile": "Coffee, Meat", "odor": "garlic-like odor@ethereal odor", "taste": null, "functional_groups": "thioether", "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3", "volume3d": "78.3", "fooddb_flavor_profile": "ethereal@sulfurous", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008326", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@sulfurous"}, {"pubchem_id": 34286, "iupac_name": "2-methylfuran-3-thiol", "common_name": "2-Methyl-3-furanthiol", "smile": "CC1=C(C=CO1)S", "molecular_weight": 114.162, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 65.1, "topological_polor_surfacearea": 14.1, "monoisotopic_mass": 114.014, "exact_mass": 114.014, "xlogp": "1.5", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "28588-74-1", "fema_number": "3188", "fema_flavor_profile": "Fried, Nut, Potato, Roasted Meat", "odor": null, "taste": null, "functional_groups": "thiol (sulfanyl compound)@arylthiol (thiophenol)@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3", "volume3d": "87.9", "fooddb_flavor_profile": "coconut@meat@sulfury@fishy@metallic@meaty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015527", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@meat@sulfury@fishy@metallic@meaty"}, {"pubchem_id": 31291, "iupac_name": "tetradecanal", "common_name": "Tetradecanal", "smile": "CCCCCCCCCCCCCC=O", "molecular_weight": 212.377, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 12, "complexity": 121.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 212.214, "exact_mass": 212.214, "xlogp": "6.0", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "124-25-4", "fema_number": "2763", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3", "volume3d": "195.5", "fooddb_flavor_profile": "citrus peel@incense@amber@wax@waxy@fatty@musk@flower@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012621", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus peel@incense@amber@wax@waxy@fatty@musk@flower@dry"}, {"pubchem_id": 31492, "iupac_name": "2,4,5-trimethyl-2,5-dihydro-1,3-oxazole", "common_name": "2,4,5-Trimethyl-3-Oxazoline", "smile": "CC1C(=NC(O1)C)C", "molecular_weight": 113.16, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 120.0, "topological_polor_surfacearea": 21.6, "monoisotopic_mass": 113.084, "exact_mass": 113.084, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 2, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "22694-96-8", "fema_number": "3525", "fema_flavor_profile": "Green, Mold, Wood", "odor": null, "taste": null, "functional_groups": "imine@heterocyclic compound", "inchi": "InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3", "volume3d": "95.0", "fooddb_flavor_profile": "caramel@musty@wood@nutty@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003220", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@musty@wood@nutty@green"}, {"pubchem_id": 18635, "iupac_name": "3-methylsulfanylpropanal", "common_name": "3-(Methylthio)propionaldehyde", "smile": "CSCCC=O", "molecular_weight": 104.167, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 36.5, "topological_polor_surfacearea": 42.4, "monoisotopic_mass": 104.03, "exact_mass": 104.03, "xlogp": "0.3", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3268-49-3", "fema_number": "2747", "fema_flavor_profile": "Cooked potato, Soy", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@thioether", "inchi": "InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3", "volume3d": "84.6", "fooddb_flavor_profile": "potato@vegetable@tomato@fishy@musty@earthy@creamy@peanut@cooked potato@beef", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008541", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "potato@vegetable@tomato@fishy@musty@earthy@creamy@peanut@cooked potato@beef"}, {"pubchem_id": 8106, "iupac_name": "hexane-1-thiol", "common_name": "1-Hexanethiol", "smile": "CCCCCCS", "molecular_weight": 118.238, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 27.4, "topological_polor_surfacearea": 1.0, "monoisotopic_mass": 118.082, "exact_mass": 118.082, "xlogp": "3.3", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "111-31-9", "fema_number": "3842", "fema_flavor_profile": "Sulfur", "odor": null, "taste": null, "functional_groups": "thiol (sulfanyl compound)@alkylthiol", "inchi": "InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", "volume3d": "102.1", "fooddb_flavor_profile": "sulfur@burnt@sulfurous@roasted@garlic@fat@sulfury@fatty@meaty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019456", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@burnt@sulfurous@roasted@garlic@fat@sulfury@fatty@meaty"}, {"pubchem_id": 6054, "iupac_name": "2-phenylethanol", "common_name": "2-Phenylethanol", "smile": "C1=CC=C(C=C1)CCO", "molecular_weight": 122.167, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 65.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 122.073, "exact_mass": 122.073, "xlogp": "1.4", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1321-27-3@60-12-8", "fema_number": "2858", "fema_flavor_profile": "Fruit, Honey, Lilac, Rose, Wine", "odor": "characteristic rose-like odor@pure pea has an extremely mild roselike odor. >@99% pure vary in odor because of the impurities present.", "taste": "initially slightly bitter taste then sweet & reminiscent of peach@sharp burning taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol@aromatic compound", "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2", "volume3d": "104.6", "fooddb_flavor_profile": "spice@rose@lilac@rose dried@rose flower@bitter@floral@rose water@honey", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "750", "fooddb_id": "FDB012152", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lilac@rose@rose water@honey@rose flower@floral@spice@bitter@rose dried"}, {"pubchem_id": 7937, "iupac_name": "2,6-dimethylpyridine", "common_name": "2,6-Dimethylpyridine", "smile": "CC1=NC(=CC=C1)C", "molecular_weight": 107.156, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 62.8, "topological_polor_surfacearea": 12.9, "monoisotopic_mass": 107.073, "exact_mass": 107.073, "xlogp": "1.7", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "108-48-5", "fema_number": "3540", "fema_flavor_profile": "Savory", "odor": "odor of pyridine plus peppermint", "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3", "volume3d": "93.6", "fooddb_flavor_profile": "bready@oily@woody@cocoa@nutty@amine", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010959", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bready@oily@woody@cocoa@nutty@amine"}, {"pubchem_id": 6202, "iupac_name": "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride", "common_name": "Thiamine Hydrochloride", "smile": "CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]", "molecular_weight": 337.263, "hbd_count": 3, "hba_count": 6, "num_rotatablebonds": 4, "complexity": 269.0, "topological_polor_surfacearea": 104.0, "monoisotopic_mass": 336.058, "exact_mass": 336.058, "xlogp": null, "charge": 0, "heavy_atom_count": 20, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 3, "cas_id": "67-03-8@70-16-6", "fema_number": "3322", "fema_flavor_profile": null, "odor": "slight, characteristic", "taste": null, "functional_groups": "cation@anion@hydroxy compound@alcohol@primary alcohol@amine@primary amine@primary aromatic amine@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1", "volume3d": null, "fooddb_flavor_profile": "sour@bitter@mild", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "520", "fooddb_id": "FDB008416", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mild@sour@bitter"}, {"pubchem_id": 7720, "iupac_name": "2-ethylhexan-1-ol", "common_name": "2-Ethylhexan-1-ol", "smile": "CCCCC(CC)CO", "molecular_weight": 130.231, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 52.5, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 130.136, "exact_mass": 130.136, "xlogp": "3.1", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "104-76-7@91994-92-2", "fema_number": "3151", "fema_flavor_profile": "Green, Rose", "odor": "mild, oily, sweet, slightly floral odor reminiscent of rose@intense and unpleasant", "taste": "sweet, fatty-floral taste with fruital note@intense and unpleasant", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3", "volume3d": "118.4", "fooddb_flavor_profile": "citrus@rose@fresh@floral@oily@sweet@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003255", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@rose@fresh@floral@oily@sweet@green"}, {"pubchem_id": 520108, "iupac_name": "1-(1,3-thiazol-2-yl)ethanone", "common_name": "2-Acetylthiazole", "smile": "CC(=O)C1=NC=CS1", "molecular_weight": 127.161, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 1, "complexity": 105.0, "topological_polor_surfacearea": 58.2, "monoisotopic_mass": 127.009, "exact_mass": 127.009, "xlogp": "1.0", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "24295-03-2", "fema_number": "3328", "fema_flavor_profile": "Nut, Popcorn, Roast, Sulfur", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3", "volume3d": "96.3", "fooddb_flavor_profile": "sulfur@roast@chocolate@hazelnut@nut@nutty@popcorn@roasted peanuts", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010950", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@roast@chocolate@hazelnut@nut@nutty@popcorn@roasted peanuts"}, {"pubchem_id": 19310, "iupac_name": "(methyltrisulfanyl)methane", "common_name": "Dimethyl trisulfide", "smile": "CSSSC", "molecular_weight": 126.25, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 2, "complexity": 12.4, "topological_polor_surfacearea": 75.9, "monoisotopic_mass": 125.963, "exact_mass": 125.963, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3658-80-8", "fema_number": "3275", "fema_flavor_profile": "Cabbage, Fish, Onion, Sulfur", "odor": null, "taste": null, "functional_groups": "disulfide@sulfenic acid derivative", "inchi": "InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3", "volume3d": "91.2", "fooddb_flavor_profile": "sulfur@cabbage@sulfurous@onion@fish@savory@meaty@cooked", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012458", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@cabbage@sulfurous@onion@fish@savory@meaty@cooked"}, {"pubchem_id": 5960, "iupac_name": "(2S)-2-aminobutanedioic acid", "common_name": "L-aspartic acid", "smile": "C(C(C(=O)O)N)C(=O)O", "molecular_weight": 133.103, "hbd_count": 3, "hba_count": 5, "num_rotatablebonds": 3, "complexity": 133.0, "topological_polor_surfacearea": 101.0, "monoisotopic_mass": 133.038, "exact_mass": 133.038, "xlogp": "-2.8", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "27881-03-4@6899-03-2@39162-75-9@56-84-8@25608-40-6", "fema_number": "3656", "fema_flavor_profile": null, "odor": null, "taste": "acidic/neutral@sour", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@alpha-aminoacid", "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1", "volume3d": "95.1", "fooddb_flavor_profile": "odorless", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012567", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless"}, {"pubchem_id": 17029, "iupac_name": "octadec-9-enal", "common_name": "9-Octadecenal, (9E)-", "smile": "CCCCCCCCC=CCCCCCCCC=O", "molecular_weight": 266.469, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 15, "complexity": 196.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 266.261, "exact_mass": 266.261, "xlogp": "7.2", "charge": 0, "heavy_atom_count": 19, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 1, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "10009-79-7@5090-41-5", "fema_number": "4059", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3", "volume3d": "244.6", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 521246, "iupac_name": "3-oxobutan-2-yl acetate", "common_name": "3-oxobutan-2-yl acetate", "smile": "CC(C(=O)C)OC(=O)C", "molecular_weight": 130.143, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 3, "complexity": 128.0, "topological_polor_surfacearea": 43.4, "monoisotopic_mass": 130.063, "exact_mass": 130.063, "xlogp": "0.3", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "4906-24-5", "fema_number": "3526", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3", "volume3d": "104.3", "fooddb_flavor_profile": "buttery@sweet@pungent@creamy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011808", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "buttery@sweet@pungent@creamy"}, {"pubchem_id": 9256, "iupac_name": "1,3-thiazole", "common_name": "Thiazole", "smile": "C1=CSC=N1", "molecular_weight": 85.124, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 30.1, "topological_polor_surfacearea": 41.1, "monoisotopic_mass": 84.999, "exact_mass": 84.999, "xlogp": "0.4", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "288-47-1", "fema_number": "3615", "fema_flavor_profile": "Pyridine", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H", "volume3d": "65.2", "fooddb_flavor_profile": "nutty@pyridine@meaty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000907", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nutty@pyridine@meaty"}, {"pubchem_id": 3893, "iupac_name": "dodecanoic acid", "common_name": "lauric acid", "smile": "CCCCCCCCCCCC(=O)O", "molecular_weight": 200.322, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 10, "complexity": 132.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 200.178, "exact_mass": 200.178, "xlogp": "4.2", "charge": 0, "heavy_atom_count": 14, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "203714-07-2@8000-62-2@143-07-7@7632-48-6@9054-63-1@8045-27-0", "fema_number": "2614", "fema_flavor_profile": null, "odor": "characteristic, like oil of bay", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)", "volume3d": "177.2", "fooddb_flavor_profile": "coconut@mild@fatty@metal@bay oil", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003010", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@mild@fatty@metal@bay oil"}, {"pubchem_id": 1130, "iupac_name": "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol", "common_name": "thiamine", "smile": "CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO", "molecular_weight": 265.355, "hbd_count": 2, "hba_count": 5, "num_rotatablebonds": 4, "complexity": 269.0, "topological_polor_surfacearea": 104.0, "monoisotopic_mass": 265.112, "exact_mass": 265.112, "xlogp": "1.0", "charge": 1, "heavy_atom_count": 18, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "59-43-8@70-16-6", "fema_number": null, "fema_flavor_profile": null, "odor": "slight, characteristic", "taste": null, "functional_groups": "cation@hydroxy compound@alcohol@primary alcohol@amine@primary amine@primary aromatic amine@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1", "volume3d": "203.3", "fooddb_flavor_profile": "bitter", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "68", "fooddb_id": "FDB008424", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bitter"}, {"pubchem_id": 61303, "iupac_name": "pentadecan-2-one", "common_name": "2-Pentadecanone", "smile": "CCCCCCCCCCCCCC(=O)C", "molecular_weight": 226.404, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 12, "complexity": 152.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 226.23, "exact_mass": 226.23, "xlogp": "6.3", "charge": 0, "heavy_atom_count": 16, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "2345-28-0", "fema_number": "3724", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3", "volume3d": "208.4", "fooddb_flavor_profile": "jasmin@fresh@celery", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003086", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "jasmin@fresh@celery"}, {"pubchem_id": 5318599, "iupac_name": "(E)-oct-2-en-1-ol", "common_name": "trans-2-Octen-1-Ol", "smile": "CCCCCC=CCO", "molecular_weight": 128.215, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 67.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 128.12, "exact_mass": 128.12, "xlogp": "2.5", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "18409-17-1@22104-78-5", "fema_number": "3887", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+", "volume3d": "117.2", "fooddb_flavor_profile": "citrus@soap@green@plastic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003346", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@soap@green@plastic"}, {"pubchem_id": 6421281, "iupac_name": "(2E,4Z,7Z)-trideca-2,4,7-trienal", "common_name": "2,4,7-Tridecatrienal, (E,Z,Z)-", "smile": "CCCCCC=CCC=CC=CC=O", "molecular_weight": 192.302, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 199.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 192.151, "exact_mass": 192.151, "xlogp": "4.2", "charge": 0, "heavy_atom_count": 14, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 3, "defined_bond_stereocenter_count": 3, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "13552-96-0", "fema_number": "3638", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9-,12-11+", "volume3d": "176.1", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 527, "iupac_name": "propanal", "common_name": "Propionaldehyde", "smile": "CCC=O", "molecular_weight": 58.08, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 17.2, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 58.042, "exact_mass": 58.042, "xlogp": "0.6", "charge": 0, "heavy_atom_count": 4, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-38-6", "fema_number": "2923", "fema_flavor_profile": "Floral, Pungent, Solvent", "odor": "suffocating, fruity@characteristic odor similar to acetaldehyde@pungent, unpleasant@choking odor", "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3", "volume3d": "52.4", "fooddb_flavor_profile": "solvent@alcohol@whiskey@wine@earthy@cocoa@pungent@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012083", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@alcohol@whiskey@wine@earthy@cocoa@pungent@nutty"}, {"pubchem_id": 5365811, "iupac_name": "(E)-hex-4-en-3-one", "common_name": "4-Hexen-3-One", "smile": "CCC(=O)C=CC", "molecular_weight": 98.145, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 82.2, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 98.073, "exact_mass": 98.073, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "2497-21-4@50396-87-7", "fema_number": "3352", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+", "volume3d": "89.2", "fooddb_flavor_profile": "ethereal@pungent@tropical@metallic@spicy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013898", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@pungent@tropical@metallic@spicy@green"}, {"pubchem_id": 28906, "iupac_name": "3,5-diethyl-2-methylpyrazine", "common_name": "3,5-Diethyl-2-Methylpyrazine", "smile": "CCC1=CN=C(C(=N1)CC)C", "molecular_weight": 150.225, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 114.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 150.116, "exact_mass": 150.116, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "18138-05-1", "fema_number": "3916", "fema_flavor_profile": "Baked, Cocoa, Roast, Rum", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C9H14N2/c1-4-8-6-10-7(3)9(5-2)11-8/h6H,4-5H2,1-3H3", "volume3d": "128.1", "fooddb_flavor_profile": "nutty@vegetable@meaty@baked", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010931", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nutty@vegetable@meaty@baked"}, {"pubchem_id": 5916154, "iupac_name": "(E)-4-methylpent-2-enal", "common_name": "4-Methyl-2-Pentenal", "smile": "CC(C)C=CC=O", "molecular_weight": 98.145, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 72.2, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 98.073, "exact_mass": 98.073, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "24502-08-7@5362-56-1", "fema_number": "3510", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3+", "volume3d": "89.3", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 261, "iupac_name": "butanal", "common_name": "butyraldehyde", "smile": "CCCC=O", "molecular_weight": 72.107, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 24.8, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 72.058, "exact_mass": 72.058, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-72-8", "fema_number": "2219", "fema_flavor_profile": "Banana, Green, Pungent", "odor": "characteristic, pungent, aldehyde odor", "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", "volume3d": "65.4", "fooddb_flavor_profile": "bready@chocolate@creamy@pear@vegetable@fatty@earthy@woody@pungent@nutty@wine_like@meaty@spicy@citrus@herbaceous@green@apple@floral@musty@cocoa@fruity@malty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003378", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bready@chocolate@creamy@pear@vegetable@fatty@earthy@woody@pungent@nutty@wine_like@meaty@spicy@citrus@herbaceous@green@apple@floral@musty@cocoa@fruity@malty"}, {"pubchem_id": 25611, "iupac_name": "2-methylheptan-3-one", "common_name": "2-Methyl-3-Heptanone", "smile": "CCCCC(=O)C(C)C", "molecular_weight": 128.215, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 84.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 128.12, "exact_mass": 128.12, "xlogp": "2.4", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "13019-20-0", "fema_number": "4000", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3", "volume3d": "116.9", "fooddb_flavor_profile": "leafy@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009837", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@fruity@green"}, {"pubchem_id": 8163, "iupac_name": "undecan-2-one", "common_name": "2-Undecanone", "smile": "CCCCCCCCCC(=O)C", "molecular_weight": 170.296, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 108.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 170.167, "exact_mass": 170.167, "xlogp": "4.1", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "112-12-9", "fema_number": "3093", "fema_flavor_profile": "Fresh, Green, Orange, Rose", "odor": "strong odor", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3", "volume3d": "156.4", "fooddb_flavor_profile": "orange@waxy@fresh@fatty@floral@iris@creamy@fruity@orris@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011831", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "orange@waxy@fresh@fatty@floral@iris@creamy@fruity@orris@green"}, {"pubchem_id": 5283321, "iupac_name": "(2E,4E)-hepta-2,4-dienal", "common_name": "trans,trans-2,4-Heptadienal", "smile": "CCC=CC=CC=O", "molecular_weight": 110.156, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 101.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 110.073, "exact_mass": 110.073, "xlogp": "1.6", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "4313-03-5@5910-85-0", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+", "volume3d": "100.5", "fooddb_flavor_profile": "hazelnut@cinnamon", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008347", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "hazelnut@cinnamon"}, {"pubchem_id": 7302, "iupac_name": "oxolan-2-one", "common_name": "gamma-Butyrolactone", "smile": "C1CC(=O)OC1", "molecular_weight": 86.09, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 67.9, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 86.037, "exact_mass": 86.037, "xlogp": "-0.6", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "96-48-0@187997-16-6", "fema_number": "3291", "fema_flavor_profile": "Caramel, Cheese, Roasted Nut", "odor": "pleasant odor@faint odor", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2", "volume3d": "68.7", "fooddb_flavor_profile": "caramel@oily@fatty@sweet@creamy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003392", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@oily@fatty@sweet@creamy"}, {"pubchem_id": 11622, "iupac_name": "tridecan-2-one", "common_name": "2-Tridecanone", "smile": "CCCCCCCCCCCC(=O)C", "molecular_weight": 198.35, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 10, "complexity": 129.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 198.198, "exact_mass": 198.198, "xlogp": "5.2", "charge": 0, "heavy_atom_count": 14, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "593-08-8", "fema_number": "3388", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3", "volume3d": "182.5", "fooddb_flavor_profile": "coconut@herbal@milky@waxy@fatty@earthy@dairy@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012424", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@herbal@milky@waxy@fatty@earthy@dairy@nutty"}, {"pubchem_id": 7728, "iupac_name": "5-ethyl-2-methylpyridine", "common_name": "5-Ethyl-2-methylpyridine", "smile": "CCC1=CN=C(C=C1)C", "molecular_weight": 121.183, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 80.6, "topological_polor_surfacearea": 12.9, "monoisotopic_mass": 121.089, "exact_mass": 121.089, "xlogp": "2.0", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "104-90-5", "fema_number": "3546", "fema_flavor_profile": "Savory", "odor": "sharp, penetrating odor@strong aromatic odor", "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3", "volume3d": "106.2", "fooddb_flavor_profile": "raw@roasted@potato@earthy@strong@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000925", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "raw@roasted@potato@earthy@strong@nutty"}, {"pubchem_id": 5283345, "iupac_name": "(E)-dec-2-enal", "common_name": "trans-2-Decenal", "smile": "CCCCCCCC=CC=O", "molecular_weight": 154.253, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 105.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "3.7", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3913-81-3@25447-70-5@3913-71-1", "fema_number": "2366", "fema_flavor_profile": "Fat, Fish, Orange", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+", "volume3d": "141.8", "fooddb_flavor_profile": "orange@coriander@rose@tallow@waxy@oily@fatty@earthy@floral@aldehydic@mushroom@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB029712", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "orange@coriander@rose@tallow@waxy@oily@fatty@earthy@floral@aldehydic@mushroom@green"}, {"pubchem_id": 7344, "iupac_name": "ethyl 2-hydroxypropanoate", "common_name": "Ethyl Lactate", "smile": "CCOC(=O)C(C)O", "molecular_weight": 118.132, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 3, "complexity": 79.7, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 118.063, "exact_mass": 118.063, "xlogp": "0.2", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "97-64-3", "fema_number": "2440", "fema_flavor_profile": "Cheese, Floral, Fruit, Pungent, Rubber", "odor": "buttery odor@fruity butterscotch", "taste": "sweet, fruity, creamy and pineapple like taste@milk cream taste", "functional_groups": "hydroxy compound@alcohol@secondary alcohol@carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3", "volume3d": "94.3", "fooddb_flavor_profile": "butterscotch@butter@tart@sharp@fruit@fruity@buttery", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB020545", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butterscotch@butter@tart@sharp@fruit@fruity@buttery"}, {"pubchem_id": 20534, "iupac_name": "2-butylfuran", "common_name": "2-Butylfuran", "smile": "CCCCC1=CC=CO1", "molecular_weight": 124.183, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 71.0, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 124.089, "exact_mass": 124.089, "xlogp": "3.1", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "4466-24-4", "fema_number": "4081", "fema_flavor_profile": "Wet Hay", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3", "volume3d": "109.2", "fooddb_flavor_profile": "mild@wine@sweet@fruity@spicy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019990", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mild@wine@sweet@fruity@spicy"}, {"pubchem_id": 12266, "iupac_name": "2,5-dimethylfuran", "common_name": "2,5-Dimethylfuran", "smile": "CC1=CC=C(O1)C", "molecular_weight": 96.129, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 53.2, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 96.058, "exact_mass": 96.058, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "625-86-5", "fema_number": "4106", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3", "volume3d": "83.2", "fooddb_flavor_profile": "roast@ethereal@bacon@chemical@gravy@beef@meaty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011193", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@ethereal@bacon@chemical@gravy@beef@meaty"}, {"pubchem_id": 798, "iupac_name": "1H-indole", "common_name": "indole", "smile": "C1=CC=C2C(=C1)C=CN2", "molecular_weight": 117.151, "hbd_count": 1, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 101.0, "topological_polor_surfacearea": 15.8, "monoisotopic_mass": 117.058, "exact_mass": 117.058, "xlogp": "2.1", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "120-72-9", "fema_number": "2593", "fema_flavor_profile": "Burnt, Mothball", "odor": "almost floral odor when highly purified, otherwise exhibits characteristic odor of feces@unpleasant odor in high concentration but pleasant in dilute solution.@light jasmine odor", "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H", "volume3d": "98.7", "fooddb_flavor_profile": "burnt@jasmine@mothball@animal@fishy@floral@moth ball@naphthelene@honey@fecal", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012008", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "burnt@jasmine@mothball@animal@fishy@floral@moth ball@naphthelene@honey@fecal"}, {"pubchem_id": 637564, "iupac_name": "(2E,4E)-hexa-2,4-dienal", "common_name": "2,4-Hexadienal", "smile": "CC=CC=CC=O", "molecular_weight": 96.129, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 90.4, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 96.058, "exact_mass": 96.058, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "142-83-6@53398-76-8@73506-81-7@80466-34-8", "fema_number": "3429", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+", "volume3d": "87.7", "fooddb_flavor_profile": "citrus@floral@sweet@spicy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013895", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@floral@sweet@spicy@green"}, {"pubchem_id": 7704, "iupac_name": "5-butyloxolan-2-one", "common_name": "104-50-7", "smile": "CCCCC1CCC(=O)O1", "molecular_weight": 142.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 120.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 142.099, "exact_mass": 142.099, "xlogp": "1.6", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "104-50-7", "fema_number": "2796", "fema_flavor_profile": "Coconut, Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3", "volume3d": "119.7", "fooddb_flavor_profile": "coconut@waxy@fatty@sweet@creamy@dairy@tonka", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014100", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@waxy@fatty@sweet@creamy@dairy@tonka"}, {"pubchem_id": 21712, "iupac_name": "disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate", "common_name": "5550-12-9", "smile": "C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[Na+].[Na+]", "molecular_weight": 407.186, "hbd_count": 4, "hba_count": 9, "num_rotatablebonds": 3, "complexity": 586.0, "topological_polor_surfacearea": 207.0, "monoisotopic_mass": 407.022, "exact_mass": 407.022, "xlogp": null, "charge": 0, "heavy_atom_count": 26, "atom_stereo_count": 4, "defined_atom_stereocenter_count": 4, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 3, "cas_id": "13474-02-7@5550-12-9", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "cation@anion@hydroxy compound@alcohol@secondary alcohol@1,2-diol@amine@primary amine@primary aromatic amine@oxo(het)arene@phosphoric acid derivative@phosphoric acid ester@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1", "volume3d": null, "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 6654, "iupac_name": "4,6,6-trimethylbicyclo[3.1.1]hept-3-ene", "common_name": "Alpha-Pinene", "smile": "CC1=CCC2CC1C2(C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 186.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "2.8", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 2, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "80-56-8@67762-73-6@25766-18-1@2437-95-8@7785-70-8", "fema_number": "2902", "fema_flavor_profile": "Cedarwood, Pine, Sharp", "odor": "characteristic odor of pine@odor of turpentine", "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3", "volume3d": "119.2", "fooddb_flavor_profile": "harsh@turpentine@minty@fresh@earthy@sweet@woody@terpene@pine@camphor", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013765", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "harsh@turpentine@minty@fresh@earthy@sweet@woody@terpene@pine@camphor"}, {"pubchem_id": 994, "iupac_name": "2-amino-3-phenylpropanoic acid", "common_name": "Dl-Phenylalanine", "smile": "C1=CC=C(C=C1)CC(C(=O)O)N", "molecular_weight": 165.192, "hbd_count": 2, "hba_count": 3, "num_rotatablebonds": 3, "complexity": 153.0, "topological_polor_surfacearea": 63.3, "monoisotopic_mass": 165.079, "exact_mass": 165.079, "xlogp": "-1.5", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "30394-07-1@150-30-1", "fema_number": "3726", "fema_flavor_profile": null, "odor": "slight", "taste": "bitter", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@aromatic compound@alpha-aminoacid", "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)", "volume3d": "131.9", "fooddb_flavor_profile": "odorless", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013245", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless"}, {"pubchem_id": 10797, "iupac_name": "2-methylfuran", "common_name": "2-Methylfuran", "smile": "CC1=CC=CO1", "molecular_weight": 82.102, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 43.2, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 82.042, "exact_mass": 82.042, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "534-22-5@27137-41-3", "fema_number": "4179", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3", "volume3d": "70.7", "fooddb_flavor_profile": "ethereal@acetone@chocolate", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012718", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@acetone@chocolate"}, {"pubchem_id": 650, "iupac_name": "butane-2,3-dione", "common_name": "2,3-butanedione", "smile": "CC(=O)C(=O)C", "molecular_weight": 86.09, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 71.5, "topological_polor_surfacearea": 34.1, "monoisotopic_mass": 86.037, "exact_mass": 86.037, "xlogp": "-1.3", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "431-03-8", "fema_number": "2370", "fema_flavor_profile": "Butter, Pastry, Yeast", "odor": "quinone odor@vapors have a chlorine-like odor@very strong buttery odor in dilute solution@strong odor", "taste": "taste characteristics at 50 ppm: sweet, buttery, creamy and milky@threshold taste detection in milk (gas chromatically pure): 1.40x10-2 ppm and 2.90x10-2 ppm@in skim milk: 1.00x10-1 ppm@threshold taste detection in water (gas chromatically pure): 5.40x10-3 ppm@in water: 1.00x10-8% (volume/volume or wg/wg).", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3", "volume3d": "71.3", "fooddb_flavor_profile": "butter@caramel@oily@creamy@sweet@pungent@strong", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011930", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@caramel@oily@creamy@sweet@pungent@strong"}, {"pubchem_id": 8194, "iupac_name": "dodecanal", "common_name": "Dodecanal", "smile": "CCCCCCCCCCCC=O", "molecular_weight": 184.323, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 10, "complexity": 99.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 184.183, "exact_mass": 184.183, "xlogp": "4.9", "charge": 0, "heavy_atom_count": 13, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "112-54-9", "fema_number": "2615", "fema_flavor_profile": "Citrus, Fat, Lily", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3", "volume3d": "169.3", "fooddb_flavor_profile": "citrus@fat@waxy@floral@lily@aldehydic@soapy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012137", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@fat@waxy@floral@lily@aldehydic@soapy@green"}, {"pubchem_id": 520296, "iupac_name": "6-nonyloxan-2-one", "common_name": "delta-Tetradecalactone", "smile": "CCCCCCCCCC1CCCC(=O)O1", "molecular_weight": 226.36, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 8, "complexity": 189.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 226.193, "exact_mass": 226.193, "xlogp": "4.7", "charge": 0, "heavy_atom_count": 16, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "2721-22-4", "fema_number": "3590", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3", "volume3d": "196.0", "fooddb_flavor_profile": "oil@milky@waxy@fatty@creamy@sweet@dairy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB017267", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@milky@waxy@fatty@creamy@sweet@dairy"}, {"pubchem_id": 12777, "iupac_name": "6-propyloxan-2-one", "common_name": "delta-Octanolactone", "smile": "CCCC1CCCC(=O)O1", "molecular_weight": 142.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 120.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 142.099, "exact_mass": 142.099, "xlogp": "1.9", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "698-76-0", "fema_number": "3214", "fema_flavor_profile": "Coconut, Peach", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3", "volume3d": "118.0", "fooddb_flavor_profile": "peach@coconut@fatty@sweet@tropical@dairy@tonka", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016871", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@coconut@fatty@sweet@tropical@dairy@tonka"}, {"pubchem_id": 5319754, "iupac_name": "(E)-2-methylpent-2-enal", "common_name": "2-Methyl-2-Pentenal", "smile": "CCC=C(C)C=O", "molecular_weight": 98.145, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 82.2, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 98.073, "exact_mass": 98.073, "xlogp": "1.4", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "14250-96-5@623-36-9", "fema_number": "3194", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+", "volume3d": "88.8", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 7710, "iupac_name": "5-pentyloxolan-2-one", "common_name": "gamma-Nonanolactone", "smile": "CCCCCC1CCC(=O)O1", "molecular_weight": 156.225, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 132.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 156.115, "exact_mass": 156.115, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "104-61-0@57084-16-9", "fema_number": "2781", "fema_flavor_profile": null, "odor": "strong odor reminiscent of coconut", "taste": "taste characteristics at 10 ppm: coconut, creamy, waxy with fatty milky notes", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3", "volume3d": "132.7", "fooddb_flavor_profile": "peach@coconut@waxy@oily@creamy@sweet@buttery", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008395", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@coconut@waxy@oily@creamy@sweet@buttery"}, {"pubchem_id": 8314, "iupac_name": "2-methylbutanoic acid", "common_name": "2-Methylbutanoic acid", "smile": "CCC(C)C(=O)O", "molecular_weight": 102.133, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 68.5, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 102.068, "exact_mass": 102.068, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "600-07-7@9062-04-8@116-53-0", "fema_number": "2695", "fema_flavor_profile": "Butter, Cheese, Fermented, Sour", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)", "volume3d": "85.3", "fooddb_flavor_profile": "sour@sweat@acid@strawberry@roquefort cheese@pungent@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008135", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sour@sweat@acid@strawberry@roquefort cheese@pungent@cheese"}, {"pubchem_id": 6430759, "iupac_name": "(2E,6Z)-dodeca-2,6-dienal", "common_name": "2-trans-6-cis-Dodecadienal", "smile": "CCCCCC=CCCC=CC=O", "molecular_weight": 180.291, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 157.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 180.151, "exact_mass": 180.151, "xlogp": "3.8", "charge": 0, "heavy_atom_count": 13, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "21662-13-5", "fema_number": "3637", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+", "volume3d": "165.3", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 32033, "iupac_name": "3,5-dimethyl-1,2,4-trithiolane", "common_name": "3,5-Dimethyl-1,2,4-Trithiolane", "smile": "CC1SC(SS1)C", "molecular_weight": 152.288, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 0, "complexity": 56.0, "topological_polor_surfacearea": 75.9, "monoisotopic_mass": 151.979, "exact_mass": 151.979, "xlogp": "2.4", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 2, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "23654-92-4", "fema_number": "3541", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "disulfide@sulfenic acid derivative@heterocyclic compound", "inchi": "InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3", "volume3d": "107.8", "fooddb_flavor_profile": "beefy@sulfurous@meaty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008043", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "beefy@sulfurous@meaty"}, {"pubchem_id": 10902, "iupac_name": "ethane-1,2-dithiol", "common_name": "1,2-Ethanedithiol", "smile": "C(CS)S", "molecular_weight": 94.19, "hbd_count": 2, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 6.0, "topological_polor_surfacearea": 2.0, "monoisotopic_mass": 93.991, "exact_mass": 93.991, "xlogp": "0.8", "charge": 0, "heavy_atom_count": 4, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "540-63-6", "fema_number": "3484", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "thiol (sulfanyl compound)@alkylthiol", "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2", "volume3d": "68.8", "fooddb_flavor_profile": "sulfury", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008370", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfury"}, {"pubchem_id": 12020, "iupac_name": "pent-1-en-3-ol", "common_name": "1-Penten-3-Ol", "smile": "CCC(C=C)O", "molecular_weight": 86.134, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 41.2, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "1.1", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "616-25-1", "fema_number": "3584", "fema_flavor_profile": "Butter, Fish, Green, Oxidized, Wet Earth", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@alkene", "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3", "volume3d": "78.1", "fooddb_flavor_profile": "butter@vegetable@bitter@horseradish@pungent@tropical@fruity@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "776", "fooddb_id": "FDB008240", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@pungent@tropical@horseradish@green@vegetable@bitter@fruity"}, {"pubchem_id": 10823, "iupac_name": "3-ethylpyridine", "common_name": "3-Ethylpyridine", "smile": "CCC1=CN=CC=C1", "molecular_weight": 107.156, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 61.4, "topological_polor_surfacearea": 12.9, "monoisotopic_mass": 107.073, "exact_mass": 107.073, "xlogp": "1.7", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "536-78-7", "fema_number": "3394", "fema_flavor_profile": "Nuts", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3", "volume3d": "93.2", "fooddb_flavor_profile": "caramel@citrus@tobacco@wine_like@smoky@vegetable@leather@oakmoss@fatty@floral@musty@woody@earthy@fruity@peanut@herbaceous@nutty@meaty@spicy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000930", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@citrus@tobacco@wine_like@smoky@vegetable@leather@oakmoss@fatty@floral@musty@woody@earthy@fruity@peanut@herbaceous@nutty@meaty@spicy@green"}, {"pubchem_id": 11449, "iupac_name": "octane-2,3-dione", "common_name": "Octane-2,3-dione", "smile": "CCCCCC(=O)C(=O)C", "molecular_weight": 142.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 5, "complexity": 127.0, "topological_polor_surfacearea": 34.1, "monoisotopic_mass": 142.099, "exact_mass": 142.099, "xlogp": "1.5", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "585-25-1", "fema_number": "4060", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3", "volume3d": "122.7", "fooddb_flavor_profile": "dill@buttery@broccoli@cooked", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003341", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "dill@buttery@broccoli@cooked"}, {"pubchem_id": 13204, "iupac_name": "6-methyloxan-2-one", "common_name": "delta-Hexalactone", "smile": "CC1CCCC(=O)O1", "molecular_weight": 114.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 98.7, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 114.068, "exact_mass": 114.068, "xlogp": "1.0", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "823-22-3", "fema_number": "3167", "fema_flavor_profile": "Spice", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3", "volume3d": "92.0", "fooddb_flavor_profile": "sweet@herbal", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008077", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sweet@herbal"}, {"pubchem_id": 61653, "iupac_name": "2,4,5-trimethyl-1,3-thiazole", "common_name": "2,4,5-Trimethylthiazole", "smile": "CC1=C(SC(=N1)C)C", "molecular_weight": 127.205, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 84.6, "topological_polor_surfacearea": 41.1, "monoisotopic_mass": 127.046, "exact_mass": 127.046, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "13623-11-5", "fema_number": "3325", "fema_flavor_profile": "Cocoa, Eart, Nut", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3", "volume3d": "102.9", "fooddb_flavor_profile": "hazelnut@chocolate@vegetable@musty@coffee@cocoa@earth@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011160", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "hazelnut@chocolate@vegetable@musty@coffee@cocoa@earth@nutty"}, {"pubchem_id": 1032, "iupac_name": "propanoic acid", "common_name": "propionic acid", "smile": "CCC(=O)O", "molecular_weight": 74.079, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 40.2, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 74.037, "exact_mass": 74.037, "xlogp": "0.3", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "79-09-4@68937-68-8@68990-37-4", "fema_number": "2924", "fema_flavor_profile": "Fat, Fruit, Pungent, Silage, Soy", "odor": "slightly pungent disagreeable, rancid odor", "taste": "sour & mildly cheese-like", "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)", "volume3d": "60.3", "fooddb_flavor_profile": "cheesy@soy@acidic@vinegar@rancid@pungent", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008285", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cheesy@soy@acidic@vinegar@rancid@pungent"}, {"pubchem_id": 519732, "iupac_name": "5-ethyl-2-methyl-1,3-thiazole", "common_name": "5-Ethyl-2-methylthiazole", "smile": "CCC1=CN=C(S1)C", "molecular_weight": 127.205, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 74.9, "topological_polor_surfacearea": 41.1, "monoisotopic_mass": 127.046, "exact_mass": 127.046, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "19961-52-5", "fema_number": "4388", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3", "volume3d": "102.8", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}]}