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3,4,5-trihydroxybenzoate", "common_name": "(-)-Epicatechin gallate", "smile": "C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O", "molecular_weight": 442.376, "hbd_count": 7, "hba_count": 10, "num_rotatablebonds": 4, "complexity": 649.0, "topological_polor_surfacearea": 177.0, "monoisotopic_mass": 442.09, "exact_mass": 442.09, "xlogp": "1.5", "charge": 0, "heavy_atom_count": 32, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 2, "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": "1257-08-5", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@1,2-diphenol@ether@alkyl aryl ether@carboxylic acid derivative@carboxylic acid ester@aromatic compound@heterocyclic compound", "inchi": 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"undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "104-93-8@3494-45-9", "fema_number": "2681", "fema_flavor_profile": "Floral", "odor": "strong floral odor@pungent odor suggestive of ylang-ylang@sharp, fruity sweet odor", "taste": "nutty taste", "functional_groups": "ether@alkyl aryl ether@aromatic compound", "inchi": "InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3", "volume3d": "105.0", "fooddb_flavor_profile": "powdery@cresol@naphthyl@camphoraceous@nutty@ylang@cedar", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008791", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "powdery@cresol@naphthyl@camphoraceous@nutty@ylang@cedar"}, {"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": 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", 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"iupac_name": "hexyl 2-methylpropanoate", "common_name": "Hexyl isobutyrate", "smile": "CCCCCCOC(=O)C(C)C", "molecular_weight": 172.268, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 7, "complexity": 119.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 172.146, "exact_mass": 172.146, "xlogp": "3.5", "charge": 0, "heavy_atom_count": 12, "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": "2349-07-7", "fema_number": "3172", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3", "volume3d": "151.3", "fooddb_flavor_profile": "apple@berry@wine@grape@ripe@sweet@fruity@pear@green", "super_sweet": null, 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