{"entity_id": 53, "category": "cerealcrop-cereal", "category_readable": "Cereal", "entity_alias": "malt", "entity_alias_basket": "malt, malt-peated", "entity_alias_readable": "Malt", "entity_alias_synonyms": "Malt", "entity_alias_url": "https://en.wikipedia.org/wiki/Malt", "natural_source_name": "Poacceae", "natural_source_url": "https://en.wikipedia.org/wiki/Poaceae", "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": 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": 7284, "iupac_name": "2-methylbutanal", "common_name": "2-Methylbutyraldehyde", "smile": "CCC(C)C=O", "molecular_weight": 86.134, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 41.2, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "1.1", "charge": 0, "heavy_atom_count": 6, "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": "96-17-3@57456-98-1", "fema_number": "2691", "fema_flavor_profile": "Almond, Cocoa, Fermented, Hazelnut, Malt", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3", "volume3d": "78.3", "fooddb_flavor_profile": "musty@coffee@cocoa@nutty@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008127", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "musty@coffee@cocoa@nutty@almond"}, {"pubchem_id": 6560, "iupac_name": "2-methylpropan-1-ol", "common_name": "2-Methyl-1-propanol", "smile": "CC(C)CO", "molecular_weight": 74.123, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 17.6, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 74.073, "exact_mass": 74.073, "xlogp": "0.8", "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": "78-83-1@68989-27-5", "fema_number": "2179", "fema_flavor_profile": "Apple, Bitter, Cocoa, Wine", "odor": "sweet, musty odor@odor like that of amyl alcohol, but weaker@penetrating, wine-like, disagreeable odor@suffocating odor of fusel oil@slightly suffocating@nonresidual alcoholic", "taste": "sweet whiskey taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3", "volume3d": "67.0", "fooddb_flavor_profile": "solvent@ether@wine@bitter", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003274", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@ether@wine@bitter"}, {"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": 12748, "iupac_name": "4-methyl-1,3-thiazole", "common_name": "4-Methylthiazole", "smile": "CC1=CSC=N1", "molecular_weight": 99.151, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 46.8, "topological_polor_surfacearea": 41.1, "monoisotopic_mass": 99.014, "exact_mass": 99.014, "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": null, "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3", "volume3d": "77.8", "fooddb_flavor_profile": "vegetable@tomato@nutty@roasted meat@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011116", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "vegetable@tomato@nutty@roasted meat@green"}, {"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": 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": 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": 12587, "iupac_name": "4-methylpentanoic acid", "common_name": "4-Methylpentanoic Acid", "smile": "CC(C)CCC(=O)O", "molecular_weight": 116.16, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 76.6, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 116.084, "exact_mass": 116.084, "xlogp": "1.4", "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": "646-07-1", "fema_number": "3463", "fema_flavor_profile": "Floral", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)", "volume3d": "98.4", "fooddb_flavor_profile": "pungent@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008206", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "pungent@cheese"}, {"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": 8093, "iupac_name": "octan-2-one", "common_name": "Octan-2-one", "smile": "CCCCCCC(=O)C", "molecular_weight": 128.215, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 76.6, "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": "111-13-7", "fema_number": "2802", "fema_flavor_profile": "Fat, Fragrant, Mold", "odor": "fatty, green cheese aroma@floral, bitter, fruity (unripe apple)@pleasant", "taste": "camphor taste@cheese@bitter", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3", "volume3d": "117.2", "fooddb_flavor_profile": "soap@gasoline@herbal@bitter@earthy@woody@weedy@natural", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "764", "fooddb_id": "FDB003344", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "natural@earthy@gasoline@weedy@herbal@woody@bitter@soap"}, {"pubchem_id": 8129, "iupac_name": "heptan-1-ol", "common_name": "1-Heptanol", "smile": "CCCCCCCO", "molecular_weight": 116.204, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 35.4, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 116.12, "exact_mass": 116.12, "xlogp": "2.7", "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": "111-70-6@53535-33-4", "fema_number": "2548", "fema_flavor_profile": null, "odor": "fragrant@faint, aromatic, fatty", "taste": "pungent, spicy taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", "volume3d": "106.4", "fooddb_flavor_profile": "leafy@coconut@herbal@peony@strawberry@chemical@musty@sweet@woody@violet@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008053", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@coconut@herbal@peony@strawberry@chemical@musty@sweet@woody@violet@green"}, {"pubchem_id": 1049, "iupac_name": "pyridine", "common_name": "Pyridine", "smile": "C1=CC=NC=C1", "molecular_weight": 79.102, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 30.9, "topological_polor_surfacearea": 12.9, "monoisotopic_mass": 79.042, "exact_mass": 79.042, "xlogp": "0.7", "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": "110-86-1@7291-22-7", "fema_number": "2966", "fema_flavor_profile": null, "odor": "sharp, nauseating@burnt, sickening@nauseating fish-like odor.", "taste": "amine taste", "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H", "volume3d": "67.7", "fooddb_flavor_profile": "sour@putrid@fishy@rancid@sickening@amine", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014733", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sour@putrid@fishy@rancid@sickening@amine"}, {"pubchem_id": 8369, "iupac_name": "3-hydroxy-2-methylpyran-4-one", "common_name": "Maltol", "smile": "CC1=C(C(=O)C=CO1)O", "molecular_weight": 126.111, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 0, "complexity": 200.0, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 126.032, "exact_mass": 126.032, "xlogp": "0.4", "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": "118-71-8", "fema_number": "2656", "fema_flavor_profile": null, "odor": "fragrant, caramel-like odor@characteristic caramel-butterscotch odor and suggestive of a fruity-strawberry aroma in dilute solution@caramel-like odor, reminiscent of freshly baked cakes", "taste": "taste characteristics at 200.00 ppm: sweet, caramellic, cotton candy with fruity, jammy strawberry nuance", "functional_groups": "carbonyl compound@hydroxy compound@phenol or hydroxyhetarene@oxo(het)arene@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3", "volume3d": "96.0", "fooddb_flavor_profile": "caramel@jam@bread@cotton@sweet@fruity@baked@candy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002712", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@jam@bread@cotton@sweet@fruity@baked@candy"}, {"pubchem_id": 1136, "iupac_name": "2-(4-methyl-1,3-thiazol-5-yl)ethanol", "common_name": "4-Methyl-5-Thiazoleethanol", "smile": "CC1=C(SC=N1)CCO", "molecular_weight": 143.204, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 2, "complexity": 89.1, "topological_polor_surfacearea": 61.4, "monoisotopic_mass": 143.04, "exact_mass": 143.04, "xlogp": "0.8", "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": "137-00-8", "fema_number": "3204", "fema_flavor_profile": "Nuts, Sulfur", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3", "volume3d": "110.8", "fooddb_flavor_profile": "sulfur@cooked beef juice@fatty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010974", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@cooked beef juice@fatty"}, {"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": 7976, "iupac_name": "2-methylpyrazine", "common_name": "2-Methylpyrazine", "smile": "CC1=NC=CN=C1", "molecular_weight": 94.117, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 54.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 94.053, "exact_mass": 94.053, "xlogp": "0.2", "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": "109-08-0", "fema_number": "3309", "fema_flavor_profile": "Cocoa, Green, Hazelnut, Popcorn, Roasted", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3", "volume3d": "77.6", "fooddb_flavor_profile": "chocolate@roasted@cocoa@peanut@nutty@popcorn@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011112", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "chocolate@roasted@cocoa@peanut@nutty@popcorn@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": 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": 6429333, "iupac_name": "(E)-2-phenylbut-2-enal", "common_name": "2-Phenyl-2-Butenal", "smile": "CC=C(C=O)C1=CC=CC=C1", "molecular_weight": 146.189, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 152.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 146.073, "exact_mass": 146.073, "xlogp": "2.2", "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": "55088-52-3@54075-09-1@4411-89-6", "fema_number": "3224", "fema_flavor_profile": "Cocoa, Roast, Rum", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene@aromatic compound", "inchi": "InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-", "volume3d": "126.8", "fooddb_flavor_profile": "cortex@radish@narcissus@sweet@beany@honey@cocoa@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008257", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cortex@radish@narcissus@sweet@beany@honey@cocoa@nutty"}, {"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": 5362696, "iupac_name": "(2E,4E)-deca-2,4-dien-1-ol", "common_name": "2,4-Decadien-1-ol", "smile": "CCCCCC=CC=CCO", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 114.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "3.1", "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": "18409-21-7", "fema_number": "3911", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+", "volume3d": "141.4", "fooddb_flavor_profile": "fatty@citrus@melon@waxy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015051", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@citrus@melon@waxy"}, {"pubchem_id": 61137, "iupac_name": "butyl pentanoate", "common_name": "Butyl pentanoate", "smile": "CCCCC(=O)OCCCC", "molecular_weight": 158.241, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 7, "complexity": 99.7, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 158.131, "exact_mass": 158.131, "xlogp": "2.7", "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": "591-68-4", "fema_number": "2217", "fema_flavor_profile": "Fruity", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3", "volume3d": "138.4", "fooddb_flavor_profile": "apple@pineapple@sweet@fruity@tropical@raspberry@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB020017", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@pineapple@sweet@fruity@tropical@raspberry@green"}, {"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": 61386, "iupac_name": "3-methylbutyl dodecanoate", "common_name": "Isoamyl laurate", "smile": "CCCCCCCCCCCC(=O)OCCC(C)C", "molecular_weight": 270.457, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 14, "complexity": 199.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 270.256, "exact_mass": 270.256, "xlogp": "7.0", "charge": 0, "heavy_atom_count": 19, "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": "6309-51-9", "fema_number": "2077", "fema_flavor_profile": "Mouthfeel", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3", "volume3d": "241.9", "fooddb_flavor_profile": "peach@wine@brandy@waxy@oily@fatty@rum@beer", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016405", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@wine@brandy@waxy@oily@fatty@rum@beer"}, {"pubchem_id": 24115, "iupac_name": "4-methylpentane-2,3-dione", "common_name": "Acetyl isobutyryl", "smile": "CC(C)C(=O)C(=O)C", "molecular_weight": 114.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 114.0, "topological_polor_surfacearea": 34.1, "monoisotopic_mass": 114.068, "exact_mass": 114.068, "xlogp": "0.6", "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": "7493-58-5", "fema_number": "2730", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3", "volume3d": "96.5", "fooddb_flavor_profile": "fatty@sweet@creamy@fruity@buttery", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008172", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@sweet@creamy@fruity@buttery"}, {"pubchem_id": 6184, "iupac_name": "hexanal", "common_name": "Hexanal", "smile": "CCCCCC=O", "molecular_weight": 100.161, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 41.4, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 100.089, "exact_mass": 100.089, "xlogp": "1.8", "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": "66-25-1", "fema_number": "2557", "fema_flavor_profile": "Apple, Fat, Fresh, Green, Oil", "odor": "characteristic fruity odor (on dilution)@strong, green grass odor@sharp, aldehyde odor", "taste": "characeteristic fruity taste (on dilution)@green, woody, vegetative, apple, grassy, citrus and orange with a fresh lingering aftertaste", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3", "volume3d": "91.4", "fooddb_flavor_profile": "leafy@grass@sweaty@tallow@fat@fresh@fatty@fruity@aldehydic@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008068", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@grass@sweaty@tallow@fat@fresh@fatty@fruity@aldehydic@green"}, {"pubchem_id": 11520, "iupac_name": "heptan-3-ol", "common_name": "3-Heptanol", "smile": "CCCCC(CC)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": "2.2", "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": "40617-58-1@589-82-2", "fema_number": "3547", "fema_flavor_profile": "Herb", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3", "volume3d": "105.7", "fooddb_flavor_profile": "bitter@powerful@herbal@herb", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "730", "fooddb_id": "FDB008056", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "herbal@powerful@bitter@herb"}, {"pubchem_id": 957, "iupac_name": "octan-1-ol", "common_name": "1-octanol", "smile": "CCCCCCCCO", "molecular_weight": 130.231, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 43.8, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 130.136, "exact_mass": 130.136, "xlogp": "3.0", "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": "220713-26-8@67700-96-3@111-87-5@68603-15-6", "fema_number": "2800", "fema_flavor_profile": "Bitter Almond, Burnt Matches, Fat, Floral", "odor": "fresh orange rose odor@penetrating aromatic odor", "taste": "oily, sweet, slightly herbaceous taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", "volume3d": "119.3", "fooddb_flavor_profile": "burnt@orange@rose@waxy@chemical@metal@aldehydic@mushroom@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012583", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "burnt@orange@rose@waxy@chemical@metal@aldehydic@mushroom@green"}, {"pubchem_id": 14296, "iupac_name": "2,3,5,6-tetramethylpyrazine", "common_name": "2,3,5,6-Tetramethylpyrazine", "smile": "CC1=C(N=C(C(=N1)C)C)C", "molecular_weight": 136.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 87.8, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 136.1, "exact_mass": 136.1, "xlogp": "1.3", "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": "1124-11-4", "fema_number": "3237", "fema_flavor_profile": "Cocoa, Coffee, Green, Mocha, Roast", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3", "volume3d": "114.8", "fooddb_flavor_profile": "chocolate@burnt@lard@musty@coffee@cocoa@soybean@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015495", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "chocolate@burnt@lard@musty@coffee@cocoa@soybean@nutty"}, {"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": 460, "iupac_name": "2-methoxyphenol", "common_name": "guaiacol", "smile": "COC1=CC=CC=C1O", "molecular_weight": 124.139, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 83.0, "topological_polor_surfacearea": 29.5, "monoisotopic_mass": 124.052, "exact_mass": 124.052, "xlogp": "1.3", "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": "8021-39-4@26638-03-9@90-05-1@8001-58-9", "fema_number": "2532", "fema_flavor_profile": "Burnt, Phenol, Wood", "odor": "aromatic odor@characteristic sweet odor, slightly phenolic", "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@aromatic compound", "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3", "volume3d": "100.0", "fooddb_flavor_profile": "spice@vanilla@smoky@sweet@woody@phenolic@medicine@medicinal@smoke", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011885", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "spice@vanilla@smoky@sweet@woody@phenolic@medicine@medicinal@smoke"}, {"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": 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": 1183, "iupac_name": "4-hydroxy-3-methoxybenzaldehyde", "common_name": "vanillin", "smile": "COC1=C(C=CC(=C1)C=O)O", "molecular_weight": 152.149, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 2, "complexity": 135.0, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 152.047, "exact_mass": 152.047, "xlogp": "1.2", "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": "121-33-5@121-33-5, 84650-63-5", "fema_number": "3107", "fema_flavor_profile": "Vanilla", "odor": "sweetish smell@pleasant aromatic vanilla odor", "taste": "pleasant vanilla taste", "functional_groups": "carbonyl compound@aldehyde@hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@aromatic compound", "inchi": "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3", "volume3d": "118.8", "fooddb_flavor_profile": "vanilla@chocolate@sweet@creamy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000838", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "vanilla@chocolate@sweet@creamy"}, {"pubchem_id": 7151, "iupac_name": "methyl pyridine-3-carboxylate", "common_name": "Methyl Nicotinate", "smile": "COC(=O)C1=CN=CC=C1", "molecular_weight": 137.138, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 2, "complexity": 125.0, "topological_polor_surfacearea": 39.2, "monoisotopic_mass": 137.048, "exact_mass": 137.048, "xlogp": "0.8", "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": "93-60-7", "fema_number": "3709", "fema_flavor_profile": "Heat", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3", "volume3d": "108.1", "fooddb_flavor_profile": "tobacco@herbal@warm", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB001015", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "tobacco@herbal@warm"}, {"pubchem_id": 12232, "iupac_name": "(methyldisulfanyl)methane", "common_name": "Dimethyl disulfide", "smile": "CSSC", "molecular_weight": 94.19, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 6.0, "topological_polor_surfacearea": 50.6, "monoisotopic_mass": 93.991, "exact_mass": 93.991, "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": "624-92-0", "fema_number": "3536", "fema_flavor_profile": "Cabbage, Garlic, Onion", "odor": "garlic-like@sulfurous@diffuse, intense onion odor", "taste": null, "functional_groups": "disulfide@sulfenic acid derivative", "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3", "volume3d": "72.3", "fooddb_flavor_profile": "citrus@cabbage@sulfurous@putrid@wine_like@onion@vegetable@fatty@floral@earthy@woody@fruity@herbaceous@nutty@meaty@spicy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003491", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@cabbage@sulfurous@putrid@wine_like@onion@vegetable@fatty@floral@earthy@woody@fruity@herbaceous@nutty@meaty@spicy@green"}, {"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": 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": 26808, "iupac_name": "2,3,5-trimethylpyrazine", "common_name": "2,3,5-Trimethylpyrazine", "smile": "CC1=CN=C(C(=N1)C)C", "molecular_weight": 122.171, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 92.9, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 122.084, "exact_mass": 122.084, "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": "14667-55-1", "fema_number": "3244", "fema_flavor_profile": "Cocoa, Earth, Must, Potato, Roast", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3", "volume3d": "102.5", "fooddb_flavor_profile": "hazelnut@roast@roasted@powdery@potato@must@musty@earthy@cocoa@peanut@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008527", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "hazelnut@roast@roasted@powdery@potato@must@musty@earthy@cocoa@peanut@nutty"}, {"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": 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": 18467, "iupac_name": "2-methoxypyrazine", "common_name": "2-Methoxypyrazine", "smile": "COC1=NC=CN=C1", "molecular_weight": 110.116, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 1, "complexity": 67.4, "topological_polor_surfacearea": 35.0, "monoisotopic_mass": 110.048, "exact_mass": 110.048, "xlogp": "0.7", "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": "3149-28-8", "fema_number": "3302", "fema_flavor_profile": "Nuts", "odor": null, "taste": null, "functional_groups": "ether@alkyl aryl ether@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3", "volume3d": "86.7", "fooddb_flavor_profile": "nutty@sweet@cocoa", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011162", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nutty@sweet@cocoa"}, {"pubchem_id": 12580, "iupac_name": "4-propylphenol", "common_name": "4-Propylphenol", "smile": "CCCC1=CC=C(C=C1)O", "molecular_weight": 136.194, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 82.7, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 136.089, "exact_mass": 136.089, "xlogp": "3.2", "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": "645-56-7", "fema_number": "3649", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@aromatic compound", "inchi": "InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3", "volume3d": "117.9", "fooddb_flavor_profile": "medicinal@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010569", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "medicinal@phenolic"}, {"pubchem_id": 26331, "iupac_name": "2-ethylpyrazine", "common_name": "2-Ethylpyrazine", "smile": "CCC1=NC=CN=C1", "molecular_weight": 108.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 63.5, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 108.069, "exact_mass": 108.069, "xlogp": "0.7", "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": "13925-00-3@1392-50-3", "fema_number": "3281", "fema_flavor_profile": "Burnt, Green, Iron Scorch, Must, Peanut Butter, Roasted, Rum, Wood", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3", "volume3d": "90.4", "fooddb_flavor_profile": "butter@roasted@peanut butter@bitter@musty@woody@cocoa@peanut@wood@nutty", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "111", "fooddb_id": "FDB008533", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@peanut@musty@cocoa@nutty@wood@roasted@woody@bitter@peanut butter"}, {"pubchem_id": 8892, "iupac_name": "hexanoic acid", "common_name": "Hexanoic Acid", "smile": "CCCCCC(=O)O", "molecular_weight": 116.16, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 68.9, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 116.084, "exact_mass": 116.084, "xlogp": "1.9", "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": "70248-25-8@68603-84-9@142-62-1", "fema_number": "2559", "fema_flavor_profile": "Cheese, Oil, Pungent, Sour", "odor": "characteristic goat-like odor", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)", "volume3d": "99.3", "fooddb_flavor_profile": "fatty@sour@sweat@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013897", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@sour@sweat@cheese"}, {"pubchem_id": 31268, "iupac_name": "pyrrolidine", "common_name": "Pyrrolidine", "smile": "C1CCNC1", "molecular_weight": 71.123, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 22.8, "topological_polor_surfacearea": 12.0, "monoisotopic_mass": 71.073, "exact_mass": 71.073, "xlogp": "0.5", "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": "123-75-1", "fema_number": "3523", "fema_flavor_profile": null, "odor": "unpleasant, ammoniacal odor", "taste": "powerful, ammoniacal taste", "functional_groups": "amine@secondary amine@secondary aliphatic amine (dialkylamine)@heterocyclic compound", "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2", "volume3d": "63.3", "fooddb_flavor_profile": "alkaline@egg@animal@ammoniacal@amine", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008290", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "alkaline@egg@animal@ammoniacal@amine"}, {"pubchem_id": 32065, "iupac_name": "5-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine", "common_name": "23747-48-0", "smile": "CC1CCC2=NC=CN=C12", "molecular_weight": 134.182, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 124.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 134.084, "exact_mass": 134.084, "xlogp": "0.8", "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": "23747-48-0", "fema_number": "3306", "fema_flavor_profile": "Nuts, Peanut, Roast", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3", "volume3d": "108.5", "fooddb_flavor_profile": "roast@nut@roasted@potato@earthy@baked@peanut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB029784", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@nut@roasted@potato@earthy@baked@peanut"}, {"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": 853433, "iupac_name": "2-methoxy-4-[(E)-prop-1-enyl]phenol", "common_name": "Isoeugenol", "smile": "CC=CC1=CC(=C(C=C1)O)OC", "molecular_weight": 164.204, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 154.0, "topological_polor_surfacearea": 29.5, "monoisotopic_mass": 164.084, "exact_mass": 164.084, "xlogp": "2.6", "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": "5932-68-3@97-54-1", "fema_number": "2468", "fema_flavor_profile": "Flower, Fragrant", "odor": "spice-clove odor", "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@alkene@aromatic compound", "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+", "volume3d": "137.1", "fooddb_flavor_profile": "carnation@clove@floral@sweet@woody@flower@spicy@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012403", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "carnation@clove@floral@sweet@woody@flower@spicy@phenolic"}, {"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": 5281167, "iupac_name": "(Z)-hex-3-en-1-ol", "common_name": "(Z)-Hex-3-en-1-ol", "smile": "CCC=CCCO", "molecular_weight": 100.161, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 48.1, "topological_polor_surfacearea": 20.2, "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": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "928-96-1@928-97-2", "fema_number": "2563", "fema_flavor_profile": "Grass, Green Fruit, Green Leaf, Herb, Unripe Banana", "odor": "powerful grassy-green odor@strong odor resembling that of isoamyl alcohol, approaching the odor of green leaves when highly dilute@characteristic odor of freshly cut grass@green, grassy, melon rind-like with a pungent freshness", "taste": "fresh, green, raw fruity with a pungent depth", "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-", "volume3d": "90.5", "fooddb_flavor_profile": "leafy@grass@foliage@vegetable@herbal@fresh@cut grass@oily@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011497", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@grass@foliage@vegetable@herbal@fresh@cut grass@oily@green"}, {"pubchem_id": 26334, "iupac_name": "2-ethyl-3,5-dimethylpyrazine", "common_name": "2-Ethyl-3,5-Dimethylpyrazine", "smile": "CCC1=NC=C(N=C1C)C", "molecular_weight": 136.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 103.0, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 136.1, "exact_mass": 136.1, "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": "13925-07-0@27043-05-6", "fema_number": "3150", "fema_flavor_profile": "Earth, Must, Nut, Potato, Roast", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3", "volume3d": "115.2", "fooddb_flavor_profile": "roast@burnt almonds@roasted nuts@potato@coffee", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB020021", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@burnt almonds@roasted nuts@potato@coffee"}, {"pubchem_id": 999, "iupac_name": "2-phenylacetic acid", "common_name": "Phenylacetic Acid", "smile": "C1=CC=C(C=C1)CC(=O)O", "molecular_weight": 136.15, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 114.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 136.052, "exact_mass": 136.052, "xlogp": "1.4", "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": "103-82-2", "fema_number": "2878", "fema_flavor_profile": "Caramel, Floral, Flower, Honey", "odor": "floral odor@has a sweet honey-like odor when diluted@the odor of the concentrated solution is suffocating and unpleasant.", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid@aromatic compound", "inchi": "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", "volume3d": "111.0", "fooddb_flavor_profile": "honeysuckle@sour@waxy@floral@sweet@honey@civet@flower", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010558", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "honeysuckle@sour@waxy@floral@sweet@honey@civet@flower"}, {"pubchem_id": 6561, "iupac_name": "2-methylpropanal", "common_name": "Isobutyraldehyde", "smile": "CC(C)C=O", "molecular_weight": 72.107, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 30.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 72.058, "exact_mass": 72.058, "xlogp": "0.8", "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": "78-84-2", "fema_number": "2220", "fema_flavor_profile": "Burnt, Caramel, Cocoa, Green, Malt", "odor": "extremely sharp@pungent odor", "taste": "fruity taste", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", "volume3d": "65.1", "fooddb_flavor_profile": "malt@fresh@floral@pungent@aldehydic@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003271", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "malt@fresh@floral@pungent@aldehydic@green"}, {"pubchem_id": 34134, "iupac_name": "nona-2,6-dien-1-ol", "common_name": "2,6-Nonadien-1-ol", "smile": "CCC=CCCC=CCO", "molecular_weight": 140.226, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 103.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 140.12, "exact_mass": 140.12, "xlogp": "2.1", "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": 0, "undefined_bond_stereocenter_count": 2, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "7786-44-9", "fema_number": "2780", "fema_flavor_profile": "Cucumber", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3", "volume3d": "128.0", "fooddb_flavor_profile": "vegetable@green@cucumber", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003302", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "vegetable@green@cucumber"}, {"pubchem_id": 62465, "iupac_name": "4-ethyl-2-methoxyphenol", "common_name": "4-Ethyl-2-methoxyphenol", "smile": "CCC1=CC(=C(C=C1)O)OC", "molecular_weight": 152.193, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 114.0, "topological_polor_surfacearea": 29.5, "monoisotopic_mass": 152.084, "exact_mass": 152.084, "xlogp": "1.7", "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": "2785-89-9", "fema_number": "2436", "fema_flavor_profile": "Clove, Phenol, Spice", "odor": null, "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@aromatic compound", "inchi": "InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3", "volume3d": "125.3", "fooddb_flavor_profile": "spice@smoky@clove@bacon@spicy@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019887", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "spice@smoky@clove@bacon@spicy@phenolic"}, {"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": 8063, "iupac_name": "pentanal", "common_name": "Pentanal", "smile": "CCCCC=O", "molecular_weight": 86.134, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 32.9, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "1.1", "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": "27154-67-2@110-62-3", "fema_number": "3098", "fema_flavor_profile": "Almond, Bitter, Malt, Oil, Pungent", "odor": "powerful, acrid, pungent odor@strong, acrid, pungent odor", "taste": "warm, slightly fruity, & nut-like at low levels@pleasant, chocolate aroma & taste@... it has sharp, penetrating flavor", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3", "volume3d": "78.3", "fooddb_flavor_profile": "bready@fermented@berry@malt@pungent@fruity@nutty@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003228", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bready@fermented@berry@malt@pungent@fruity@nutty@almond"}, {"pubchem_id": 5281, "iupac_name": "octadecanoic acid", "common_name": "stearic acid", "smile": "CCCCCCCCCCCCCCCCCC(=O)O", "molecular_weight": 284.484, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 16, "complexity": 202.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 284.272, "exact_mass": 284.272, "xlogp": "7.4", "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": 1, "cas_id": "68937-76-8@57-11-4", "fema_number": "3035", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)", "volume3d": null, "fooddb_flavor_profile": "fatty@odorless@mild", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002941", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@odorless@mild"}, {"pubchem_id": 679, "iupac_name": "methylsulfinylmethane", "common_name": "dimethyl sulfoxide", "smile": "CS(=O)C", "molecular_weight": 78.129, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 29.0, "topological_polor_surfacearea": 36.3, "monoisotopic_mass": 78.014, "exact_mass": 78.014, "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": "67-68-5", "fema_number": "3875", "fema_flavor_profile": "Garlic", "odor": "slightly sulfurous odor@distinctive garlic or oyster-like odor", "taste": "slightly bitter taste with sweet after-taste", "functional_groups": "sulfoxide", "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3", "volume3d": "60.8", "fooddb_flavor_profile": "cheesy@garlic@bitter@fatty@oily@mushroom", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "188", "fooddb_id": "FDB000764", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@mushroom@cheesy@garlic@bitter@oily"}, {"pubchem_id": 18522, "iupac_name": "2-methyloxolan-3-one", "common_name": "2-Methyltetrahydrofuran-3-One", "smile": "CC1C(=O)CCO1", "molecular_weight": 100.117, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 88.1, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 100.052, "exact_mass": 100.052, "xlogp": "0.0", "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": "3188-00-9", "fema_number": "3373", "fema_flavor_profile": "Nuts", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@ether@dialkyl ether@heterocyclic compound", "inchi": "InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3", "volume3d": "81.8", "fooddb_flavor_profile": "solvent@bread@buttery@sweet@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003197", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@bread@buttery@sweet@nutty"}, {"pubchem_id": 62453, "iupac_name": "4-ethenylphenol", "common_name": "4-Vinylphenol", "smile": "C=CC1=CC=C(C=C1)O", "molecular_weight": 120.151, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 90.7, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 120.058, "exact_mass": 120.058, "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": "2628-17-3", "fema_number": "3739", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@alkene@aromatic compound", "inchi": "InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2", "volume3d": "103.6", "fooddb_flavor_profile": "medical@chemical@almond shell@sweet@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010540", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "medical@chemical@almond shell@sweet@phenolic"}, {"pubchem_id": 5370602, "iupac_name": "(E)-5-methyl-2-phenylhex-2-enal", "common_name": "5-Methyl-2-phenyl-2-hexenal", "smile": "CC(C)CC=C(C=O)C1=CC=CC=C1", "molecular_weight": 188.27, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 197.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 188.12, "exact_mass": 188.12, "xlogp": "3.4", "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": "21834-92-4@188829-73-4", "fema_number": "3199", "fema_flavor_profile": "Cocoa", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene@aromatic compound", "inchi": "InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-", "volume3d": "164.7", "fooddb_flavor_profile": "chocolate@bitter@butyric@cocoa@sweet@fruity@aldehydic@nut skin@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008539", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "chocolate@bitter@butyric@cocoa@sweet@fruity@aldehydic@nut skin@green"}, {"pubchem_id": 8051, "iupac_name": "heptan-2-one", "common_name": "2-Heptanone", "smile": "CCCCCC(=O)C", "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": "2.0", "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": "29299-43-2@110-43-0", "fema_number": "2544", "fema_flavor_profile": "Blue Cheese, Fruit, Green, Nut, Spice", "odor": "penetrating fruity odor@characteristic banana, slightly spicy odor@banana-like fruity odor", "taste": "pear-like flavor", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3", "volume3d": "104.2", "fooddb_flavor_profile": "coconut@soap@herbal@sweet@woody@fruity@spicy@cinnamon", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008055", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@soap@herbal@sweet@woody@fruity@spicy@cinnamon"}, {"pubchem_id": 18827, "iupac_name": "oct-1-en-3-ol", "common_name": "1-Octen-3-Ol", "smile": "CCCCCC(C=C)O", "molecular_weight": 128.215, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 69.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 128.12, "exact_mass": 128.12, "xlogp": "2.6", "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": "3391-86-4", "fema_number": "2805", "fema_flavor_profile": "Cucumber, Earth, Fat, Floral, Mushroom", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@alkene", "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3", "volume3d": "117.2", "fooddb_flavor_profile": "raw@fishy@oily@earthy@fungal@chicken@mushroom@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003349", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "raw@fishy@oily@earthy@fungal@chicken@mushroom@green"}, {"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": 62510, "iupac_name": "4,5-dimethyl-1,3-thiazole", "common_name": "4,5-Dimethylthiazole", "smile": "CC1=C(SC=N1)C", "molecular_weight": 113.178, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 65.1, "topological_polor_surfacearea": 41.1, "monoisotopic_mass": 113.03, "exact_mass": 113.03, "xlogp": "1.8", "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": "3581-91-7", "fema_number": "3274", "fema_flavor_profile": "Green, Nut, Roast, Roasted", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3", "volume3d": "90.3", "fooddb_flavor_profile": "roast@roasted@boiled shrimp@green@fishy@nutty@smoke", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010963", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roast@roasted@boiled shrimp@green@fishy@nutty@smoke"}, {"pubchem_id": 31234, "iupac_name": "3-phenylpropan-1-ol", "common_name": "3-Phenylpropan-1-ol", "smile": "C1=CC=C(C=C1)CCCO", "molecular_weight": 136.194, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 74.8, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 136.089, "exact_mass": 136.089, "xlogp": "1.9", "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": "1335-12-2@122-97-4@93842-54-7", "fema_number": "2885", "fema_flavor_profile": "Arise, Cinnamon, Fruit", "odor": "floral odor@blossomy-balsamic odor, slightly reminiscent of hyacinths@sweet, hyacinth-mignonette odor", "taste": "sweet and pungent taste suggestive of apricot@spicy, cinnamon, balsamic, fruity, winey and honey-like with floral nuances", "functional_groups": "hydroxy compound@alcohol@primary alcohol@aromatic compound", "inchi": "InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2", "volume3d": "118.1", "fooddb_flavor_profile": "mignonette@cinnamyl@fruit@sweet@anise@balsam@hyacinth@spicy@cinnamon", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012188", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mignonette@cinnamyl@fruit@sweet@anise@balsam@hyacinth@spicy@cinnamon"}, {"pubchem_id": 998, "iupac_name": "2-phenylacetaldehyde", "common_name": "phenylacetaldehyde", "smile": "C1=CC=C(C=C1)CC=O", "molecular_weight": 120.151, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 82.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 120.058, "exact_mass": 120.058, "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": "122-78-1@56767-17-0", "fema_number": "2874", "fema_flavor_profile": "Berry, Geranium, Honey, Nut, Pungent", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@aromatic compound", "inchi": "InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2", "volume3d": "103.1", "fooddb_flavor_profile": "hawthorne@green@bitter@floral@sweet@cocoa@honey@peanut@hyacinth@clover@grapefruit", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "746", "fooddb_id": "FDB012238", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "hyacinth@honey@clover@sweet@hawthorne@cocoa@grapefruit@green@peanut@floral@bitter"}, {"pubchem_id": 5318042, "iupac_name": "(E)-hex-2-en-1-ol", "common_name": "trans-2-Hexen-1-Ol", "smile": "CCCC=CCO", "molecular_weight": 100.161, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 48.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 100.089, "exact_mass": 100.089, "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": "928-95-0@2305-21-7", "fema_number": "2562", "fema_flavor_profile": "Blue Cheese, Vegetable", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+", "volume3d": "91.3", "fooddb_flavor_profile": "leafy@alcohol@pepper@wine@green@fresh@fruit@unripe banana@fruity@leaf@walnut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002930", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@alcohol@pepper@wine@green@fresh@fruit@unripe banana@fruity@leaf@walnut"}, {"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": 379, "iupac_name": "octanoic acid", "common_name": "octanoic acid", "smile": "CCCCCCCC(=O)O", "molecular_weight": 144.214, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 89.3, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 144.115, "exact_mass": 144.115, "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": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "124-07-2@68937-74-6", "fema_number": "2799", "fema_flavor_profile": "Cheese, Fat, Grass, Oil", "odor": "faint, fruity-acid odor@unpleasant and irritating odor@slight odor", "taste": "slightly sour taste@slightly unpleasant rancid taste", "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)", "volume3d": "125.3", "fooddb_flavor_profile": "cheesy@sweat@vegetable@waxy@fatty@rancid@oily@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003336", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cheesy@sweat@vegetable@waxy@fatty@rancid@oily@cheese"}, {"pubchem_id": 12097, "iupac_name": "5-methylfuran-2-carbaldehyde", "common_name": "5-Methylfurfural", "smile": "CC1=CC=C(O1)C=O", "molecular_weight": 110.112, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 90.5, "topological_polor_surfacearea": 30.2, "monoisotopic_mass": 110.037, "exact_mass": 110.037, "xlogp": "0.7", "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": "620-02-0", "fema_number": "2702", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3", "volume3d": "89.4", "fooddb_flavor_profile": "caramel@spice@burnt sugar@maple@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010991", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@spice@burnt sugar@maple@almond"}, {"pubchem_id": 7826, "iupac_name": "methyl heptanoate", "common_name": "Methyl Heptanoate", "smile": "CCCCCCC(=O)OC", "molecular_weight": 144.214, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 89.3, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 144.115, "exact_mass": 144.115, "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": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "106-73-0", "fema_number": "2705", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3", "volume3d": "125.8", "fooddb_flavor_profile": "berry@waxy@floral@fruit@sweet@orris@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008052", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "berry@waxy@floral@fruit@sweet@orris@green"}, {"pubchem_id": 445639, "iupac_name": "(Z)-octadec-9-enoic acid", "common_name": "oleic acid", "smile": "CCCCCCCCC=CCCCCCCCC(=O)O", "molecular_weight": 282.468, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 15, "complexity": 234.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 282.256, "exact_mass": 282.256, "xlogp": "6.5", "charge": 0, "heavy_atom_count": 20, "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": "112-80-1@112-79-8@90459-84-0@2027-47-6@90459-86-2@68609-92-7@99148-48-8@68412-07-7", "fema_number": "2815", "fema_flavor_profile": "Fat", "odor": "peculiar lard-like odor", "taste": "peculiar lard-like taste", "functional_groups": "carboxylic acid derivative@carboxylic acid@alkene", "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-", "volume3d": "252.5", "fooddb_flavor_profile": "lard@fat@waxy@fatty@fried@faint", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012858", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lard@fat@waxy@fatty@fried@faint"}, {"pubchem_id": 31260, "iupac_name": "3-methylbutan-1-ol", "common_name": "3-Methyl-1-butanol", "smile": "CC(C)CCO", "molecular_weight": 88.15, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 25.1, "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": 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": "6423-06-9@123-51-3@8013-75-0", "fema_number": "2057", "fema_flavor_profile": "Burnt, Cocoa, Floral, Malt", "odor": "characteristic, disagreeable odor@disagreeable odor.", "taste": "pungent, repulsive taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3", "volume3d": "79.5", "fooddb_flavor_profile": "oil@alcoholic@burnt@whiskey@malt@banana@fusel@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008131", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@alcoholic@burnt@whiskey@malt@banana@fusel@fruity"}, {"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": 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": 19309, "iupac_name": "4-hydroxy-2,5-dimethylfuran-3-one", "common_name": "3658-77-3", "smile": "CC1C(=O)C(=C(O1)C)O", "molecular_weight": 128.127, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 0, "complexity": 181.0, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 128.047, "exact_mass": 128.047, "xlogp": "0.7", "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": "3658-77-3@131222-81-6@131222-82-7", "fema_number": "3174", "fema_flavor_profile": "Burnt, Caramel, Cotton Candy, Honey", "odor": "relatively weak, nonspecific odor@dilute solutions develop a pineapple, strawberry-like odor@odor description at 0.01%: sweet, slightly burnt brown caramellic, cotton candy with a savory nuance", "taste": "caramel flavor@taste description at 0.10-1.00 ppm: sweet caramellic cooked meaty and fruity nuances", "functional_groups": "carbonyl compound@ketone@heterocyclic compound", "inchi": "InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3", "volume3d": "98.1", "fooddb_flavor_profile": "caramel@strawberry@grape@cotton@sweet@sugar@candy@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB020380", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@strawberry@grape@cotton@sweet@sugar@candy@almond"}, {"pubchem_id": 62131, "iupac_name": "2-[(methyldisulfanyl)methyl]furan", "common_name": "Furfuryl methyl disulfide", "smile": "CSSCC1=CC=CO1", "molecular_weight": 160.249, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 3, "complexity": 77.5, "topological_polor_surfacearea": 63.7, "monoisotopic_mass": 160.002, "exact_mass": 160.002, "xlogp": "1.5", "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": "57500-00-2", "fema_number": "3362", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "disulfide@sulfenic acid derivative@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3", "volume3d": "121.7", "fooddb_flavor_profile": "roasted@sulfury@fishy@coffee@meaty@alliaceous@smoke", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015753", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roasted@sulfury@fishy@coffee@meaty@alliaceous@smoke"}, {"pubchem_id": 7362, "iupac_name": "furan-2-carbaldehyde", "common_name": "2-Furaldehyde", "smile": "C1=COC(=C1)C=O", "molecular_weight": 96.085, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 70.5, "topological_polor_surfacearea": 30.2, "monoisotopic_mass": 96.021, "exact_mass": 96.021, "xlogp": "0.4", "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": "98-01-1@8030-97-5", "fema_number": "2489", "fema_flavor_profile": "Almond, Baked Potatoes, Bread, Burnt, Spice", "odor": "peculiar odor, somewhat resembling the odor of benzaldehyde@... almond-like odor ...", "taste": "distinct caramel taste", "functional_groups": "carbonyl compound@aldehyde@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H", "volume3d": "77.1", "fooddb_flavor_profile": "fragrant@bread@woody@sweet@baked@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010897", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fragrant@bread@woody@sweet@baked@almond"}, {"pubchem_id": 8785, "iupac_name": "benzyl acetate", "common_name": "Benzyl Acetate", "smile": "CC(=O)OCC1=CC=CC=C1", "molecular_weight": 150.177, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 126.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 150.068, "exact_mass": 150.068, "xlogp": "2.0", "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": "140-11-4", "fema_number": "2135", "fema_flavor_profile": "Fruit", "odor": "pear-like odor@characteristic flowery (jasmine) odor@powerful but thin, sweet floral fresh, fresh and light, fruity odor reminiscent of jasmin, gardenia, muguet, lily and other flowers.", "taste": "bitter, pungent taste", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@aromatic compound", "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3", "volume3d": "124.6", "fooddb_flavor_profile": "apple@jasmine@apricot@jasmin@boiled vegetable@fresh@bitter@floral@sweet@plum@fruity@cherry", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "723", "fooddb_id": "FDB003367", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@bitter@apricot@plum@jasmine@boiled vegetable@cherry@sweet@floral@fresh@jasmin@fruity"}, {"pubchem_id": 5283324, "iupac_name": "(E)-oct-2-enal", "common_name": "trans-2-Octenal", "smile": "CCCCCC=CC=O", "molecular_weight": 126.199, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 84.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 126.104, "exact_mass": 126.104, "xlogp": "2.6", "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": "2548-87-0@25447-69-2@2363-89-5", "fema_number": "3215", "fema_flavor_profile": "Dandelion, Fat, Fruit, Grass, Green, Spice", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+", "volume3d": "115.5", "fooddb_flavor_profile": "nut@fat@herbal@fresh@green@fatty@banana@waxy@leaf@cucumber", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002956", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nut@fat@herbal@fresh@green@fatty@banana@waxy@leaf@cucumber"}, {"pubchem_id": 19602, "iupac_name": "2-pentylfuran", "common_name": "2-Pentylfuran", "smile": "CCCCCC1=CC=CO1", "molecular_weight": 138.21, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 80.8, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 138.104, "exact_mass": 138.104, "xlogp": "3.7", "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": "64079-01-2@3777-69-3", "fema_number": "3317", "fema_flavor_profile": "Butter, Floral, Fruit, Green Bean", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3", "volume3d": "122.0", "fooddb_flavor_profile": "butter@green bean@vegetable@earthy@beany@fruity@metallic@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003089", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@green bean@vegetable@earthy@beany@fruity@metallic@green"}, {"pubchem_id": 9589, "iupac_name": "1-pyridin-3-ylethanone", "common_name": "3-Acetylpyridine", "smile": "CC(=O)C1=CN=CC=C1", "molecular_weight": 121.139, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 112.0, "topological_polor_surfacearea": 30.0, "monoisotopic_mass": 121.053, "exact_mass": 121.053, "xlogp": "0.4", "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": "350-03-8", "fema_number": "3424", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3", "volume3d": "99.7", "fooddb_flavor_profile": "dry@sweet@woody@hawthorn@nutty@popcorn@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011132", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "dry@sweet@woody@hawthorn@nutty@popcorn@phenolic"}, {"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": 31276, "iupac_name": "3-methylbutyl acetate", "common_name": "Isoamyl Acetate", "smile": "CC(C)CCOC(=O)C", "molecular_weight": 130.187, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 86.9, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 130.099, "exact_mass": 130.099, "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": "123-92-2", "fema_number": "2055", "fema_flavor_profile": "Apple, Banana, Glue, Pear", "odor": "pear-like odor@fruity, banana, sweet, fragrant, powerful odor@at room temperature, the low molecular- weight ester isoamyl acetate (iaa)... is a liquid with an intense, but pleasant banana-like odor.@sweet fruity smell", "taste": "bittersweet taste reminiscent of pear ... taste characteristics at 30 ppm: sweet fruity, banana-like with a green ripe nuance.@slight apple taste", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3", "volume3d": "111.8", "fooddb_flavor_profile": "solvent@bitter@banana@sweet@fruity", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "736", "fooddb_id": "FDB008132", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bitter@solvent@banana@fruity@sweet"}, {"pubchem_id": 61664, "iupac_name": "2-methylthiolan-3-one", "common_name": "13679-85-1", "smile": "CC1C(=O)CCS1", "molecular_weight": 116.178, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 90.1, "topological_polor_surfacearea": 42.4, "monoisotopic_mass": 116.03, "exact_mass": 116.03, "xlogp": "0.8", "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": "13679-85-1", "fema_number": "3512", "fema_flavor_profile": "Cabbage, Must, Onion", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@thioether@heterocyclic compound", "inchi": "InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3", "volume3d": "91.4", "fooddb_flavor_profile": "sulfur@cabbage@berry@must@onion@fruity@others", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021345", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@cabbage@berry@must@onion@fruity@others"}, {"pubchem_id": 332, "iupac_name": "4-ethenyl-2-methoxyphenol", "common_name": "2-Methoxy-4-vinylphenol", "smile": "COC1=C(C=CC(=C1)C=C)O", "molecular_weight": 150.177, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 134.0, "topological_polor_surfacearea": 29.5, "monoisotopic_mass": 150.068, "exact_mass": 150.068, "xlogp": "2.4", "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": "7786-61-0@31853-85-7", "fema_number": "2675", "fema_flavor_profile": "Clove, Curry, Spice", "odor": null, "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@alkene@aromatic compound", "inchi": "InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3", "volume3d": "123.9", "fooddb_flavor_profile": "curry@smoky@clove@peanut@spicy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000857", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "curry@smoky@clove@peanut@spicy"}, {"pubchem_id": 7144, "iupac_name": "2-methoxy-4-methylphenol", "common_name": "2-Methoxy-4-Methylphenol", "smile": "CC1=CC(=C(C=C1)O)OC", "molecular_weight": 138.166, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 103.0, "topological_polor_surfacearea": 29.5, "monoisotopic_mass": 138.068, "exact_mass": 138.068, "xlogp": "1.3", "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": "93-51-6", "fema_number": "2671", "fema_flavor_profile": "Phenol", "odor": null, "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@aromatic compound", "inchi": "InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3", "volume3d": "112.8", "fooddb_flavor_profile": "carnation@spice@vanilla@bacon@clove@smoky@medical@leather@bitter@mesquite@medicinal@phenolic", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "755", "fooddb_id": "FDB008862", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "phenolic@clove@leather@smoky@bacon@medical@mesquite@carnation@medicinal@bitter@vanilla@spice"}, {"pubchem_id": 6435914, "iupac_name": "(E)-4-methyl-2-phenylpent-2-enal", "common_name": "4-methyl-2-phenylpent-2-enal", "smile": "CC(C)C=C(C=O)C1=CC=CC=C1", "molecular_weight": 174.243, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 185.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 174.104, "exact_mass": 174.104, "xlogp": "2.9", "charge": 0, "heavy_atom_count": 13, "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": "26643-91-4", "fema_number": "3200", "fema_flavor_profile": "Cocoa", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene@aromatic compound", "inchi": "InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8-", "volume3d": "151.9", "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": 5283316, "iupac_name": "(E)-hept-2-enal", "common_name": "(E)-Hept-2-enal", "smile": "CCCCC=CC=O", "molecular_weight": 112.172, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 74.5, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 112.089, "exact_mass": 112.089, "xlogp": "2.1", "charge": 0, "heavy_atom_count": 8, "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": "57266-86-1@29381-66-6@18829-55-5@2463-63-0", "fema_number": "3165", "fema_flavor_profile": "Almond, Fat, Fruit", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+", "volume3d": "102.7", "fooddb_flavor_profile": "soap@vegetable@fat@fresh@fatty@pungent@almond@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008060", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "soap@vegetable@fat@fresh@fatty@pungent@almond@green"}, {"pubchem_id": 10887828, "iupac_name": "2-methylsulfanylacetaldehyde", "common_name": "2-Methylthioacetaldehyde", "smile": "CSCC=O", "molecular_weight": 90.14, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 28.1, "topological_polor_surfacearea": 42.4, "monoisotopic_mass": 90.014, "exact_mass": 90.014, "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": "23328-62-3", "fema_number": "3206", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@thioether", "inchi": "InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3", "volume3d": "72.1", "fooddb_flavor_profile": "mustard@sulfurous@garlic@onion@vegetable@potato@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008381", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mustard@sulfurous@garlic@onion@vegetable@potato@nutty"}, {"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": 8082, "iupac_name": "piperidine", "common_name": "Piperidine", "smile": "C1CCNCC1", "molecular_weight": 85.15, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 30.9, "topological_polor_surfacearea": 12.0, "monoisotopic_mass": 85.089, "exact_mass": 85.089, "xlogp": "0.8", "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": "110-89-4", "fema_number": "2908", "fema_flavor_profile": "Floral", "odor": "amine-like odor@heavy, sweet, floral, animal odor@odor of pepper", "taste": "burning peppery taste", "functional_groups": "amine@secondary amine@secondary aliphatic amine (dialkylamine)@heterocyclic compound", "inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2", "volume3d": "71.1", "fooddb_flavor_profile": "bitter@animal@floral@sweet@heavy", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "667", "fooddb_id": "FDB012644", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "floral@sweet@heavy@bitter@animal"}, {"pubchem_id": 5284421, "iupac_name": "methyl (9Z,12Z)-octadeca-9,12-dienoate", "common_name": "Methyl Linoleate", "smile": "CCCCCC=CCC=CCCCCCCCC(=O)OC", "molecular_weight": 294.479, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 15, "complexity": 279.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 294.256, "exact_mass": 294.256, "xlogp": "6.9", "charge": 0, "heavy_atom_count": 21, "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": "68605-14-1@112-63-0@2462-85-3", "fema_number": "3411", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-", "volume3d": "262.9", "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": 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": 518937, "iupac_name": "2-(methylsulfanylmethyl)furan", "common_name": "Furfuryl methyl sulfide", "smile": "CSCC1=CC=CO1", "molecular_weight": 128.189, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 65.5, "topological_polor_surfacearea": 38.4, "monoisotopic_mass": 128.03, "exact_mass": 128.03, "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": "1438-91-1", "fema_number": "3160", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "thioether@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3", "volume3d": "102.8", "fooddb_flavor_profile": "garlic@onion@vegetable@sulfury@horseradish@pungent", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010899", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "garlic@onion@vegetable@sulfury@horseradish@pungent"}, {"pubchem_id": 11552, "iupac_name": "3-methylbutanal", "common_name": "3-Methylbutanal", "smile": "CC(C)CC=O", "molecular_weight": 86.134, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 39.2, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "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": "590-86-3", "fema_number": "2692", "fema_flavor_profile": null, "odor": "apple-like odor@powerful penetrating, acrid odor", "taste": "at very low levels the flavor is warm, herbaceous, slightly fruit, and nut-like", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3", "volume3d": "77.9", "fooddb_flavor_profile": "peach@sour@chocolate@ethereal@malt@fatty@aldehydic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003285", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@sour@chocolate@ethereal@malt@fatty@aldehydic"}, {"pubchem_id": 27458, "iupac_name": "2,3-diethylpyrazine", "common_name": "2,3-Diethylpyrazine", "smile": "CCC1=NC=CN=C1CC", "molecular_weight": 136.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 81.3, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 136.1, "exact_mass": 136.1, "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": "15707-24-1", "fema_number": "3136", "fema_flavor_profile": "Cereal, Hazelnut, Meat, Nut", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3", "volume3d": "115.1", "fooddb_flavor_profile": "raw@hazelnut@pepper@nutty@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021161", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "raw@hazelnut@pepper@nutty@green"}]}