{"entity_id": 276, "category": "meat", "category_readable": "Meat", "entity_alias": "meat", "entity_alias_basket": "meat, meat-boiled, meat-cooked, meat-cured, meat-roasted", "entity_alias_readable": "Meat", "entity_alias_synonyms": "Meat", "entity_alias_url": "https://en.wikipedia.org/wiki/Meat", "natural_source_name": "Mammal", "natural_source_url": "https://en.wikipedia.org/wiki/Mammal", "molecules": [{"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": 6322, "iupac_name": "(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid", "common_name": "L-arginine", "smile": "C(CC(C(=O)O)N)CN=C(N)N", "molecular_weight": 174.204, "hbd_count": 4, "hba_count": 4, "num_rotatablebonds": 5, "complexity": 176.0, "topological_polor_surfacearea": 128.0, "monoisotopic_mass": 174.112, "exact_mass": 174.112, "xlogp": "-4.2", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "74-79-3@4455-52-1@25212-18-4", "fema_number": "3819", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@guanidine@alpha-aminoacid", "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1", "volume3d": "130.7", "fooddb_flavor_profile": "faint", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002257", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "faint"}, {"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": 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": 876, "iupac_name": "2-amino-4-methylsulfanylbutanoic acid", "common_name": "Dl-Methionine", "smile": "CSCCC(C(=O)O)N", "molecular_weight": 149.208, "hbd_count": 2, "hba_count": 4, "num_rotatablebonds": 4, "complexity": 97.0, "topological_polor_surfacearea": 88.6, "monoisotopic_mass": 149.051, "exact_mass": 149.051, "xlogp": "-1.9", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "26062-47-5@59-51-8", "fema_number": "3301", "fema_flavor_profile": "Savory", "odor": "faint", "taste": "sulfurous", "functional_groups": "thioether@amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@alpha-aminoacid", "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)", "volume3d": "113.8", "fooddb_flavor_profile": "acidic@sulfurous@mild", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012166", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "acidic@sulfurous@mild"}, {"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": 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": 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": 5362572, "iupac_name": "1-(2-methylpyrimidin-4-yl)ethanone", "common_name": "67860-38-2", "smile": "CC1=NC=CC(=N1)C(=O)C", "molecular_weight": 136.154, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 1, "complexity": 136.0, "topological_polor_surfacearea": 42.8, "monoisotopic_mass": 136.064, "exact_mass": 136.064, "xlogp": "0.6", "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": "67860-38-2", "fema_number": "3654", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3", "volume3d": "108.6", "fooddb_flavor_profile": "burnt@meaty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016964", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "burnt@meaty"}, {"pubchem_id": 18635, "iupac_name": "3-methylsulfanylpropanal", "common_name": "3-(Methylthio)propionaldehyde", "smile": "CSCCC=O", "molecular_weight": 104.167, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 36.5, "topological_polor_surfacearea": 42.4, "monoisotopic_mass": 104.03, "exact_mass": 104.03, "xlogp": "0.3", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "3268-49-3", "fema_number": "2747", "fema_flavor_profile": "Cooked potato, Soy", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@thioether", "inchi": "InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3", "volume3d": "84.6", "fooddb_flavor_profile": "potato@vegetable@tomato@fishy@musty@earthy@creamy@peanut@cooked potato@beef", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008541", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "potato@vegetable@tomato@fishy@musty@earthy@creamy@peanut@cooked potato@beef"}, {"pubchem_id": 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": 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": 246728, "iupac_name": "octan-3-one", "common_name": "3-Octanone", "smile": "CCCCCC(=O)CC", "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": "2.3", "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": "106-68-3@541-85-5", "fema_number": "2803", "fema_flavor_profile": "Butter, Herb, Mold", "odor": "mild fruity odor", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3", "volume3d": "117.0", "fooddb_flavor_profile": "butter@herbal@resin@fresh@mushroom@sweet@lavender@herb", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003345", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@herbal@resin@fresh@mushroom@sweet@lavender@herb"}, {"pubchem_id": 454, "iupac_name": "octanal", "common_name": "Octanal", "smile": "CCCCCCCC=O", "molecular_weight": 128.215, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 59.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 128.12, "exact_mass": 128.12, "xlogp": "2.7", "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": "124-13-0", "fema_number": null, "fema_flavor_profile": null, "odor": "strong, fruity odor", "taste": "characteristic pungent, fatty flavor", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3", "volume3d": "117.3", "fooddb_flavor_profile": "lemon@citrus@soap@orange peel@fat@waxy@fatty@aldehydic@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003339", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@citrus@soap@orange peel@fat@waxy@fatty@aldehydic@green"}, {"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": 22201, "iupac_name": "2,3-dimethylpyrazine", "common_name": "2,3-Dimethylpyrazine", "smile": "CC1=NC=CN=C1C", "molecular_weight": 108.144, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 62.9, "topological_polor_surfacearea": 25.8, "monoisotopic_mass": 108.069, "exact_mass": 108.069, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "25704-73-8@5910-89-4", "fema_number": "3271", "fema_flavor_profile": "Caramel, Cocoa, Hazelnut, Peanut Butter, Roasted", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3", "volume3d": "89.7", "fooddb_flavor_profile": "butter@caramel@nut@peanut butter@meat@leather@coffee@cocoa@peanut@nutty@almond@walnut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010958", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@caramel@nut@peanut butter@meat@leather@coffee@cocoa@peanut@nutty@almond@walnut"}, {"pubchem_id": 31289, "iupac_name": "nonanal", "common_name": "Nonanal", "smile": "CCCCCCCCC=O", "molecular_weight": 142.242, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 69.1, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 142.136, "exact_mass": 142.136, "xlogp": "3.3", "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": "124-19-6", "fema_number": "2782", "fema_flavor_profile": "Fat, Floral, Green, Lemon", "odor": "orange-rose odor@floral, waxy, green", "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3", "volume3d": "130.4", "fooddb_flavor_profile": "citrus@lime@orange peel@rose@fat@green@fishy@waxy@fresh@fatty@peely@aldehydic@orris@grapefruit", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003303", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@lime@orange peel@rose@fat@green@fishy@waxy@fresh@fatty@peely@aldehydic@orris@grapefruit"}, {"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": 7361, "iupac_name": "furan-2-ylmethanol", "common_name": "Furfuryl Alcohol", "smile": "C1=COC(=C1)CO", "molecular_weight": 98.101, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 54.0, "topological_polor_surfacearea": 33.4, "monoisotopic_mass": 98.037, "exact_mass": 98.037, "xlogp": "0.3", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "25212-86-6@98-00-0", "fema_number": "2491", "fema_flavor_profile": "Burnt, Caramel, Cooked", "odor": "faint burning odor", "taste": "bitter", "functional_groups": "hydroxy compound@alcohol@primary alcohol@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2", "volume3d": "78.6", "fooddb_flavor_profile": "alcoholic@caramel@burnt@bread@chemical@bitter@musty@coffee@sweet", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "217", "fooddb_id": "FDB012558", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coffee@alcoholic@bitter@musty@chemical@caramel@sweet@burnt@bread"}, {"pubchem_id": 13187, "iupac_name": "nonan-2-one", "common_name": "2-Nonanone", "smile": "CCCCCCCC(=O)C", "molecular_weight": 142.242, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 86.7, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 142.136, "exact_mass": 142.136, "xlogp": "3.1", "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": "821-55-6", "fema_number": "2785", "fema_flavor_profile": "Fragrant, Fruit, Green, Hot Milk", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3", "volume3d": "130.1", "fooddb_flavor_profile": "soap@herbal@fresh@fishy@hot milk@earthy@sweet@soapy@weedy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003308", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "soap@herbal@fresh@fishy@hot milk@earthy@sweet@soapy@weedy@green"}, {"pubchem_id": 32093, "iupac_name": "1-(3-methylpyrazin-2-yl)ethanone", "common_name": "2-Acetyl-3-Methylpyrazine", "smile": "CC1=NC=CN=C1C(=O)C", "molecular_weight": 136.154, "hbd_count": 0, "hba_count": 3, "num_rotatablebonds": 1, "complexity": 136.0, "topological_polor_surfacearea": 42.8, "monoisotopic_mass": 136.064, "exact_mass": 136.064, "xlogp": "0.2", "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": "23787-80-6", "fema_number": "3964", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3", "volume3d": "109.1", "fooddb_flavor_profile": "roasted@toasted@vegetable@grain@nutty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB001290", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "roasted@toasted@vegetable@grain@nutty"}, {"pubchem_id": 16821, "iupac_name": "5-octyloxolan-2-one", "common_name": "gamma-Dodecalactone", "smile": "CCCCCCCCC1CCC(=O)O1", "molecular_weight": 198.306, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 7, "complexity": 166.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 198.162, "exact_mass": 198.162, "xlogp": "3.8", "charge": 0, "heavy_atom_count": 14, "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": "2305-05-7@57084-18-1", "fema_number": "2400", "fema_flavor_profile": "Apricot, Flower, Fruit, Peach", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3", "volume3d": "171.6", "fooddb_flavor_profile": "peach@fatty@musty@fruit@sweet@fruity@metallic@flower", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021845", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@fatty@musty@fruit@sweet@fruity@metallic@flower"}, {"pubchem_id": 21828, "iupac_name": "2-methyl-1,3-dithiolane", "common_name": "2-Methyl-1,3-dithiolane", "smile": "CC1SCCS1", "molecular_weight": 120.228, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 38.8, "topological_polor_surfacearea": 50.6, "monoisotopic_mass": 120.007, "exact_mass": 120.007, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "5616-51-3", "fema_number": "3705", "fema_flavor_profile": "Sulfur", "odor": null, "taste": null, "functional_groups": "thioacetal@heterocyclic compound", "inchi": "InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3", "volume3d": "88.4", "fooddb_flavor_profile": "sulfur@sulfurous@smoky@vegetable@savory@alliaceous", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015033", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@sulfurous@smoky@vegetable@savory@alliaceous"}, {"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": 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": 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": 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": 8103, "iupac_name": "hexan-1-ol", "common_name": "1-Hexanol", "smile": "CCCCCCO", "molecular_weight": 102.177, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 27.4, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 102.104, "exact_mass": 102.104, "xlogp": "2.0", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "111-27-3@25917-35-5", "fema_number": "2567", "fema_flavor_profile": "Banana, Flower, Grass, Herb", "odor": "characteristic@sweet alcohol@pleasant", "taste": "fatty, fruity@aromatic flavor", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", "volume3d": "93.4", "fooddb_flavor_profile": "oil@alcoholic@ethereal@resin@fusel@sweet@fruity@flower@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008072", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@alcoholic@ethereal@resin@fusel@sweet@fruity@flower@green"}, {"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": 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": 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": 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": 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": 61808, "iupac_name": "4-methyl-2-propan-2-yl-1,3-thiazole", "common_name": "2-Isopropyl-4-methylthiazole", "smile": "CC1=CSC(=N1)C(C)C", "molecular_weight": 141.232, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 92.9, "topological_polor_surfacearea": 41.1, "monoisotopic_mass": 141.061, "exact_mass": 141.061, "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": "15679-13-7", "fema_number": "3555", "fema_flavor_profile": "Meat, Roast, Sulfur", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3", "volume3d": "115.3", "fooddb_flavor_profile": "nut@rooty@vegetable@earthy@fruit@tropical@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016151", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nut@rooty@vegetable@earthy@fruit@tropical@green"}, {"pubchem_id": 77837, "iupac_name": "2,5-dimethyl-1,3-thiazole", "common_name": "2,5-Dimethylthiazole", "smile": "CC1=CN=C(S1)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": "4175-66-0", "fema_number": "4035", "fema_flavor_profile": "Nuts", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3", "volume3d": "90.0", "fooddb_flavor_profile": "nutty@roasted", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010962", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "nutty@roasted"}, {"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": 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": 8158, "iupac_name": "nonanoic acid", "common_name": "Nonanoic Acid", "smile": "CCCCCCCCC(=O)O", "molecular_weight": 158.241, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 7, "complexity": 99.7, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 158.131, "exact_mass": 158.131, "xlogp": "3.5", "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": "68937-75-7@67762-36-1@112-05-0", "fema_number": "2784", "fema_flavor_profile": "Fat, Green, Sour", "odor": "fatty odor@coconut aroma@slight odor", "taste": "unpleasant taste@excellent coconut taste", "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)", "volume3d": "138.3", "fooddb_flavor_profile": "cultured dairy@fat@waxy@green@dirty@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003306", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cultured dairy@fat@waxy@green@dirty@cheese"}, {"pubchem_id": 15448, "iupac_name": "undecan-2-ol", "common_name": "2-Undecanol", "smile": "CCCCCCCCCC(C)O", "molecular_weight": 172.312, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 81.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 172.183, "exact_mass": 172.183, "xlogp": "4.5", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1653-30-1", "fema_number": "3246", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3", "volume3d": "158.0", "fooddb_flavor_profile": "waxy@cotton@fresh@sarsaparilla@clean cloth", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002918", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "waxy@cotton@fresh@sarsaparilla@clean cloth"}, {"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": 5281168, "iupac_name": "(E)-hex-2-enal", "common_name": "trans-2-Hexenal", "smile": "CCCC=CC=O", "molecular_weight": 98.145, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 64.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 98.073, "exact_mass": 98.073, "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": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "6728-26-3@505-57-7", "fema_number": "2560", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+", "volume3d": "89.6", "fooddb_flavor_profile": "leafy@apple@cheesy@vegetable@fat@banana@rancid@fatty@sweet@plum@fruity@aldehydic@almond@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008081", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@apple@cheesy@vegetable@fat@banana@rancid@fatty@sweet@plum@fruity@aldehydic@almond@green"}, {"pubchem_id": 5962, "iupac_name": "(2S)-2,6-diaminohexanoic acid", "common_name": "L-lysine", "smile": "C(CCN)CC(C(=O)O)N", "molecular_weight": 146.19, "hbd_count": 3, "hba_count": 4, "num_rotatablebonds": 5, "complexity": 106.0, "topological_polor_surfacearea": 89.3, "monoisotopic_mass": 146.106, "exact_mass": 146.106, "xlogp": "-3.0", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "20166-34-1@56-87-1@12798-06-0@25104-18-1@923-27-3@26714-32-9", "fema_number": "3847", "fema_flavor_profile": null, "odor": null, "taste": "sweet/bitter", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)@carboxylic acid derivative@carboxylic acid@alpha-aminoacid", "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1", "volume3d": "116.7", "fooddb_flavor_profile": "odorless", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000474", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless"}, {"pubchem_id": 520144, "iupac_name": "1-sulfanylpropan-2-one", "common_name": "1-Mercapto-2-propanone", "smile": "CC(=O)CS", "molecular_weight": 90.14, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 42.2, "topological_polor_surfacearea": 18.1, "monoisotopic_mass": 90.014, "exact_mass": 90.014, "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": "24653-75-6", "fema_number": "3856", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@thiol (sulfanyl compound)@alkylthiol", "inchi": "InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3", "volume3d": "70.6", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}]}