{"entity_id": 304, "category": "plant", "category_readable": "Plant", "entity_alias": "hops", "entity_alias_basket": "hops, hops-beer", "entity_alias_readable": "Hops", "entity_alias_synonyms": "Hops", "entity_alias_url": "https://en.wikipedia.org/wiki/Hops", "natural_source_name": "Humulus Lupulus", "natural_source_url": "https://en.wikipedia.org/wiki/Humulus_lupulus", "molecules": [{"pubchem_id": 46779070, "iupac_name": "S-methyl 4-methylpentanethioate", "common_name": "S-Methyl 4-methylpentanethioate", "smile": "CC(C)CCC(=O)SC", "molecular_weight": 146.248, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 88.9, "topological_polor_surfacearea": 42.4, "monoisotopic_mass": 146.077, "exact_mass": 146.077, "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": "61122-71-2", "fema_number": "3867", "fema_flavor_profile": "Savory", "odor": null, "taste": null, "functional_groups": "thiocarboxylic acid derivative@thiocarboxylic acid ester@sulfenic acid derivative", "inchi": "InChI=1S/C7H14OS/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3", "volume3d": "122.7", "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": 17129, "iupac_name": "2-methylbutyl 2-methylbutanoate", "common_name": "2-METHYLBUTYL 2-METHYLBUTYRATE", "smile": "CCC(C)COC(=O)C(C)CC", "molecular_weight": 172.268, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 132.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 172.146, "exact_mass": 172.146, "xlogp": "3.2", "charge": 0, "heavy_atom_count": 12, "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": "2445-78-5", "fema_number": "3359", "fema_flavor_profile": "Apple, Berry, Rum", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3", "volume3d": "149.9", "fooddb_flavor_profile": "apple@berry@waxy@ester@sweet@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB018750", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@berry@waxy@ester@sweet@fruity@green"}, {"pubchem_id": 90246, "iupac_name": "S-methyl 3-methylbutanethioate", "common_name": "S-Methyl 3-methylbutanethioate", "smile": "CC(C)CC(=O)SC", "molecular_weight": 132.221, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 78.6, "topological_polor_surfacearea": 42.4, "monoisotopic_mass": 132.061, "exact_mass": 132.061, "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": "23747-45-7", "fema_number": "3864", "fema_flavor_profile": "Dairy", "odor": null, "taste": null, "functional_groups": "thiocarboxylic acid derivative@thiocarboxylic acid ester@sulfenic acid derivative", "inchi": "InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3", "volume3d": "109.6", "fooddb_flavor_profile": "fermented@tomato@sulfury@sharp@ripe@acrid@mushroom@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019497", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fermented@tomato@sulfury@sharp@ripe@acrid@mushroom@cheese"}, {"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": 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": 3776, "iupac_name": "propan-2-ol", "common_name": "isopropanol", "smile": "CC(C)O", "molecular_weight": 60.096, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 10.8, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 60.058, "exact_mass": 60.058, "xlogp": "0.3", "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": "67-63-0", "fema_number": "2929", "fema_flavor_profile": "Floral", "odor": "pleasant odor@slight odor resembling that of a mixture of ethanol and acetone@odor of rubbing alcohol", "taste": "slightly bitter taste@burning taste", "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", "volume3d": "54.3", "fooddb_flavor_profile": "musty@alcohol@woody@bitter", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "275", "fooddb_id": "FDB008282", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "woody@bitter@musty@alcohol"}, {"pubchem_id": 5364532, "iupac_name": "methyl (E)-oct-2-enoate", "common_name": "Methyl oct-2-enoate", "smile": "CCCCCC=CC(=O)OC", "molecular_weight": 156.225, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 128.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 156.115, "exact_mass": 156.115, "xlogp": "3.0", "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": "2396-85-2@68854-59-1@7367-81-9", "fema_number": "3712", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+", "volume3d": "137.0", "fooddb_flavor_profile": "pear skin@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009852", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "pear skin@fruity"}, {"pubchem_id": 61304, "iupac_name": "heptyl 2-methylpropanoate", "common_name": "Heptyl 2-methylpropanoate", "smile": "CCCCCCCOC(=O)C(C)C", "molecular_weight": 186.295, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 8, "complexity": 130.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 186.162, "exact_mass": 186.162, "xlogp": "4.0", "charge": 0, "heavy_atom_count": 13, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "2349-13-5", "fema_number": "2550", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3", "volume3d": "164.2", "fooddb_flavor_profile": "apple@orange@warm@apricot@grape@floral@sweet@fruity@cherry@pear@raspberry@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019882", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@orange@warm@apricot@grape@floral@sweet@fruity@cherry@pear@raspberry@green"}, {"pubchem_id": 88454, "iupac_name": "hexyl propanoate", "common_name": "Hexyl propionate", "smile": "CCCCCCOC(=O)CC", "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": "2.9", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "2445-76-3", "fema_number": "2576", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3", "volume3d": "138.4", "fooddb_flavor_profile": "musty@fruit@fruity@melon@pear@rotting@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013123", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "musty@fruit@fruity@melon@pear@rotting@green"}, {"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": 61024, "iupac_name": "octyl 2-methylpropanoate", "common_name": "Octyl isobutyrate", "smile": "CCCCCCCCOC(=O)C(C)C", "molecular_weight": 200.322, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 9, "complexity": 141.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 200.178, "exact_mass": 200.178, "xlogp": "4.5", "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": "109-15-9", "fema_number": "2808", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3", "volume3d": "177.2", "fooddb_flavor_profile": "waxy@oily@creamy@clean@fruity@soapy@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012412", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "waxy@oily@creamy@clean@fruity@soapy@green"}, {"pubchem_id": 264, "iupac_name": "butanoic acid", "common_name": "butyric acid", "smile": "CCCC(=O)O", "molecular_weight": 88.106, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 49.5, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 88.052, "exact_mass": 88.052, "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": "107-92-6@1977-33-9", "fema_number": "2221", "fema_flavor_profile": "Butter, Cheese, Sour", "odor": "unpleasant, rancid odor@penetrating and obnoxious odor", "taste": "butter-fat taste", "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)", "volume3d": "73.1", "fooddb_flavor_profile": "butter@sweat@acetic@sharp@rancid@fruit@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012062", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@sweat@acetic@sharp@rancid@fruit@cheese"}, {"pubchem_id": 102611, "iupac_name": "6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol", "common_name": "6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol", "smile": "CC(=CCCC(C)(C1CO1)O)C", "molecular_weight": 170.252, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 182.0, "topological_polor_surfacearea": 32.8, "monoisotopic_mass": 170.131, "exact_mass": 170.131, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 12, "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": "1365-19-1", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@tertiary alcohol@ether@dialkyl ether@alkene@heterocyclic compound", "inchi": "InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3", "volume3d": "145.5", "fooddb_flavor_profile": "herbal@floral@earthy@wood@flower@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021839", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "herbal@floral@earthy@wood@flower@green"}, {"pubchem_id": 7797, "iupac_name": "ethyl heptanoate", "common_name": "Ethyl Heptanoate", "smile": "CCCCCCC(=O)OCC", "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": "2.9", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "106-30-9", "fema_number": "2437", "fema_flavor_profile": "Brandy, Fruit, Wine", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3", "volume3d": "138.4", "fooddb_flavor_profile": "pineapple@wine@fruit@plum@fruity@melon@rum@cognac", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008200", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "pineapple@wine@fruit@plum@fruity@melon@rum@cognac"}, {"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": 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"}]}