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"fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butterscotch@caramel@sweet@candy"}, {"pubchem_id": 31246, "iupac_name": "heptan-4-one", "common_name": "4-Heptanone", "smile": "CCCC(=O)CCC", "molecular_weight": 114.188, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 58.8, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 114.104, "exact_mass": 114.104, "xlogp": "1.6", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-19-3", "fema_number": "2546", "fema_flavor_profile": "Fruit", "odor": "pleasant odor", "taste": "burning taste", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3", "volume3d": 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"synthetic": 0, "flavor_profile": "ethereal@powerful@earthy@unripe banana@fruity@green"}, {"pubchem_id": 7847, "iupac_name": "prop-2-enal", "common_name": "Acrolein", "smile": "C=CC=O", "molecular_weight": 56.064, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 30.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 56.026, "exact_mass": 56.026, "xlogp": "0.0", "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": "25068-14-8@107-02-8", "fema_number": null, "fema_flavor_profile": null, "odor": "extremely sharp@extremely acrid, pungent, burnt sweet@hot fat@disagreeable choking odor", "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2", 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"burnt@jasmine@mothball@animal@fishy@floral@moth ball@naphthelene@honey@fecal"}, {"pubchem_id": 31276, "iupac_name": "3-methylbutyl acetate", "common_name": "Isoamyl Acetate", "smile": "CC(C)CCOC(=O)C", "molecular_weight": 130.187, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 86.9, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 130.099, "exact_mass": 130.099, "xlogp": "2.0", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-92-2", "fema_number": "2055", "fema_flavor_profile": "Apple, Banana, Glue, Pear", "odor": "pear-like odor@fruity, banana, sweet, fragrant, powerful odor@at room temperature, the low molecular- weight ester isoamyl acetate (iaa)... is a liquid with an intense, but 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null, "bitterdb_id": null, "fooddb_id": "FDB008784", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "storax@sweet@honey@balsam"}, {"pubchem_id": 5280598, "iupac_name": "(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal", "common_name": "Farnesal", "smile": "CC(=CCCC(=CCCC(=CC=O)C)C)C", "molecular_weight": 220.356, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 289.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 220.183, "exact_mass": 220.183, "xlogp": "4.9", "charge": 0, "heavy_atom_count": 16, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 2, "defined_bond_stereocenter_count": 2, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "19317-11-4@502-67-0", "fema_number": "4019", "fema_flavor_profile": "Mint, Cool", "odor": null, "taste": null, 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"fooddb_id": "FDB000701", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@waxy@fatty@soapy@cognac"}, {"pubchem_id": 243, "iupac_name": "benzoic acid", "common_name": "benzoic acid", "smile": "C1=CC=C(C=C1)C(=O)O", "molecular_weight": 122.123, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 104.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 122.037, "exact_mass": 122.037, "xlogp": "1.9", "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": "117500-35-3@65-85-0", "fema_number": "2131", "fema_flavor_profile": "Pungent, Sour", "odor": "odorless or with a slight benzaldehyde odor@faint, pleasant odor", "taste": "almost tasteless 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"fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3", "volume3d": "137.8", "fooddb_flavor_profile": "chocolate@fruit@cocoa@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB018748", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "chocolate@fruit@cocoa@fruity@green"}, {"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, 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"smile": "CCCCCN", "molecular_weight": 87.166, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 19.9, "topological_polor_surfacearea": 26.0, "monoisotopic_mass": 87.105, "exact_mass": 87.105, "xlogp": "1.5", "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": "110-58-7", "fema_number": "4242", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)", "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3", "volume3d": "80.1", "fooddb_flavor_profile": "ammoniacal@fishy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010039", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ammoniacal@fishy"}, {"pubchem_id": 177, "iupac_name": "acetaldehyde", "common_name": "acetaldehyde", "smile": "CC=O", "molecular_weight": 44.053, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 10.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 44.026, "exact_mass": 44.026, "xlogp": "-0.3", "charge": 0, "heavy_atom_count": 3, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "75-07-0", "fema_number": "2003", "fema_flavor_profile": "Floral, Green Apple", "odor": "pungent, fruity odor@pungent, suffocating odor that is somewhat fruity and quite pleasant in dilute concentrations.", "taste": "tart taste (fruits containing acetaldehyde before ripening)", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3", "volume3d": "39.9", "fooddb_flavor_profile": "ethereal@ether@whiskey@pungent@fruity@aldehydic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008297", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@ether@whiskey@pungent@fruity@aldehydic"}, {"pubchem_id": 8139, "iupac_name": "methyl dodecanoate", "common_name": "Methyl Dodecanoate", "smile": "CCCCCCCCCCCC(=O)OC", "molecular_weight": 214.349, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 11, "complexity": 144.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 214.193, "exact_mass": 214.193, "xlogp": "5.8", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, 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144.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 214.193, "exact_mass": 214.193, "xlogp": "4.9", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "638-25-5", "fema_number": "2079", "fema_flavor_profile": "Floral", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3", "volume3d": "190.3", "fooddb_flavor_profile": "orris@sweet@wine", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015075", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "orris@sweet@wine"}, {"pubchem_id": 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