{"entity_id": 315, "category": "plantderivative", "category_readable": "Plant Derivative", "entity_alias": "honey", "entity_alias_basket": "honey", "entity_alias_readable": "Honey", "entity_alias_synonyms": "Honey", "entity_alias_url": "https://en.wikipedia.org/wiki/Honey", "natural_source_name": "Bees", "natural_source_url": "https://en.wikipedia.org/wiki/Bee", "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, 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banana@fruity@green"}, {"pubchem_id": 7795, "iupac_name": "3-methylbutyl butanoate", "common_name": "Isoamyl butyrate", "smile": "CCCC(=O)OCCC(C)C", "molecular_weight": 158.241, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 108.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 158.131, "exact_mass": 158.131, "xlogp": "2.6", "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": "106-27-4", "fema_number": "2060", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3", "volume3d": "137.5", "fooddb_flavor_profile": 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"554-12-1", "fema_number": "2742", "fema_flavor_profile": "Fruit, Rum", "odor": "sweet, fruity, rum-like odor", "taste": "sweet, rum taste@sweet flavor suggestive of black currant", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", "volume3d": "73.9", "fooddb_flavor_profile": "harsh@apple@strawberry@fresh@rum@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB001370", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "harsh@apple@strawberry@fresh@rum@fruity"}, {"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": 12180, "iupac_name": "methyl butanoate", "common_name": "Methyl butyrate", "smile": "CCCC(=O)OC", "molecular_weight": 102.133, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 59.1, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 102.068, "exact_mass": 102.068, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "623-42-7", "fema_number": "2693", "fema_flavor_profile": "Apple, Banana, Cheese, Ester, Floral", "odor": "apple-like odor", "taste": "apple-like, sweet taste@not very powerful@below 100 ppm may have banana-pineapple flavor", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", "volume3d": "86.8", "fooddb_flavor_profile": "apple@pineapple@ether@banana@fruit@sweet@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012084", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@pineapple@ether@banana@fruit@sweet@fruity"}, {"pubchem_id": 7150, "iupac_name": "methyl benzoate", "common_name": "Methyl Benzoate", "smile": "COC(=O)C1=CC=CC=C1", "molecular_weight": 136.15, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 114.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 136.052, "exact_mass": 136.052, "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": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "93-58-3", "fema_number": "2683", "fema_flavor_profile": "Herb, Lettuce, Prune, Violet", "odor": "fragrant odor@fruity odor, also similar to cananga@medicinal odor", "taste": "fruity, nutty, ... with cherry taste", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@aromatic compound", "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3", "volume3d": "111.8", "fooddb_flavor_profile": "prune@cananga@floral@wintergreen@lettuce@sweet@almond@herb@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012198", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "prune@cananga@floral@wintergreen@lettuce@sweet@almond@herb@phenolic"}, {"pubchem_id": 1031, "iupac_name": "propan-1-ol", "common_name": "1-propanol", "smile": "CCCO", "molecular_weight": 60.096, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 7.2, "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": "71-23-8@62309-51-7@142583-61-7", "fema_number": "2928", "fema_flavor_profile": "Alcohol, Candy, Pungent", "odor": "similar to ethanol@odor perception threshold: <@0.07-100 mg/cu-m@odor recognition threshold: 0.32-150 mg/cu m", "taste": "characteristic ripe, fruity flavor@taste detection: 7.50x10+3 ppm, purity of sample not specified@burning taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", "volume3d": "54.4", "fooddb_flavor_profile": "alcoholic@fermented@alcohol@musty@fusel@pungent@peanut", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008280", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "alcoholic@fermented@alcohol@musty@fusel@pungent@peanut"}, {"pubchem_id": 7762, "iupac_name": "ethyl butanoate", "common_name": "Ethyl Butyrate", "smile": "CCCC(=O)OCC", "molecular_weight": 116.16, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 68.9, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 116.084, "exact_mass": 116.084, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "105-54-4", "fema_number": "2427", "fema_flavor_profile": "Apple, Butter, Cheese, Pineapple, Strawberry", "odor": "pineapple odor", "taste": "sweet, pineapple taste@can be tasted in water at a level of 0.450 ppm and at 0.015 ppm in milk", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3", "volume3d": "99.7", "fooddb_flavor_profile": "apple@pineapple@banana@fruit@fruity@juicy@cognac", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012082", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@pineapple@banana@fruit@fruity@juicy@cognac"}, {"pubchem_id": 12571, "iupac_name": "propyl 2-methylpropanoate", "common_name": "Propyl Isobutyrate", "smile": "CCCOC(=O)C(C)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": "2.1", "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": "644-49-5", "fema_number": "2936", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3", "volume3d": "112.3", "fooddb_flavor_profile": "berry@ripe@sweet@melon@tropical@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015067", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "berry@ripe@sweet@melon@tropical@fruity"}, {"pubchem_id": 7915, "iupac_name": "propan-2-yl acetate", "common_name": "Isopropyl Acetate", "smile": "CC(C)OC(=O)C", "molecular_weight": 102.133, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 66.5, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 102.068, "exact_mass": 102.068, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 7, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "108-21-4", "fema_number": "2926", "fema_flavor_profile": "Banana", "odor": "aromatic@... fruity odor.@quality: sweet, ester@hedonic tone: pleasant to unpleasant@pleasant-odored", "taste": "on dilution a sweet apple-like flavor", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3", "volume3d": "85.8", "fooddb_flavor_profile": "ethereal@chemical@banana@sweet@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003268", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@chemical@banana@sweet@fruity"}, {"pubchem_id": 6054, "iupac_name": "2-phenylethanol", "common_name": "2-Phenylethanol", "smile": "C1=CC=C(C=C1)CCO", "molecular_weight": 122.167, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 65.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 122.073, "exact_mass": 122.073, "xlogp": "1.4", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "1321-27-3@60-12-8", "fema_number": "2858", "fema_flavor_profile": "Fruit, Honey, Lilac, Rose, Wine", "odor": "characteristic rose-like odor@pure pea has an extremely mild roselike odor. >@99% pure vary in odor because of the impurities present.", "taste": "initially slightly bitter taste then sweet & reminiscent of peach@sharp burning taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol@aromatic compound", "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2", "volume3d": "104.6", "fooddb_flavor_profile": "spice@rose@lilac@rose dried@rose flower@bitter@floral@rose water@honey", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "750", "fooddb_id": "FDB012152", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lilac@rose@rose water@honey@rose flower@floral@spice@bitter@rose dried"}, {"pubchem_id": 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": 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