{"entity_id": 405, "category": "dairy", "category_readable": "Dairy", "entity_alias": "cheese-ricotta", "entity_alias_basket": "cheese-ricotta", "entity_alias_readable": "Ricotta Cheese", "entity_alias_synonyms": "Ricotta Cheese", "entity_alias_url": "https://en.wikipedia.org/wiki/Ricotta", "natural_source_name": "Cattle", "natural_source_url": "https://en.wikipedia.org/wiki/Cattle", "molecules": [{"pubchem_id": 18818, "iupac_name": "4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane", "common_name": "Sabinene", "smile": "CC(C)C12CCC(=C)C1C2", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 179.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.1", "charge": 0, "heavy_atom_count": 10, "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": "3387-41-5", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3", "volume3d": "120.5", "fooddb_flavor_profile": "citrus@spice@pepper@turpentine@woody@terpene@wood@pine", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013516", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@spice@pepper@turpentine@woody@terpene@wood@pine"}, {"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": 5281515, "iupac_name": "(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene", "common_name": "Beta-Caryophyllene", "smile": "CC1=CCCC(=C)C2CC(C2CC1)(C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 293.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "4.4", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 2, "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": "87-44-5", "fema_number": "2252", "fema_flavor_profile": "Fried, Spice, Wood", "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1", "volume3d": "181.1", "fooddb_flavor_profile": "spice@clove@sweet@woody@wood@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015736", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "spice@clove@sweet@woody@wood@dry"}, {"pubchem_id": 61346, "iupac_name": "oct-1-en-3-one", "common_name": "1-Octen-3-One", "smile": "CCCCCC(=O)C=C", "molecular_weight": 126.199, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 94.7, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 126.104, "exact_mass": 126.104, "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": "4312-99-6", "fema_number": "3515", "fema_flavor_profile": "Earth, Mushroom", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3", "volume3d": "115.1", "fooddb_flavor_profile": "herbal@earthy@metal@musty@mushroom@dirty", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003365", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "herbal@earthy@metal@musty@mushroom@dirty"}, {"pubchem_id": 6276, "iupac_name": "pentan-1-ol", "common_name": "1-Pentanol", "smile": "CCCCCO", "molecular_weight": 88.15, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 19.9, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 88.089, "exact_mass": 88.089, "xlogp": "1.6", "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": "30899-19-5@71-41-0", "fema_number": "2056", "fema_flavor_profile": "Balsamic, Fruit, Green, Pungent, Yeast", "odor": "characteristic fusel-like odor@mild odor", "taste": "burning taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", "volume3d": "80.4", "fooddb_flavor_profile": "oil@balsamic@vanilla@fusel@sweet@balsam", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008230", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@balsamic@vanilla@fusel@sweet@balsam"}, {"pubchem_id": 643731, "iupac_name": "(2E,6Z)-nona-2,6-dienal", "common_name": "Violet leaf aldehyde", "smile": "CCC=CCCC=CC=O", "molecular_weight": 138.21, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 123.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 138.104, "exact_mass": 138.104, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 10, "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": "557-48-2@26370-28-5", "fema_number": "3377", "fema_flavor_profile": "Cucumber, Green, Wax", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+", "volume3d": "125.8", "fooddb_flavor_profile": "wax@fatty@cucumber@dry@leaf@violet@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012040", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "wax@fatty@cucumber@dry@leaf@violet@green"}, {"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": 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": 5281553, "iupac_name": "(3E)-3,7-dimethylocta-1,3,6-triene", "common_name": "Ocimene", "smile": "CC(=CCC=C(C)C=C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 3, "complexity": 155.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "4.3", "charge": 0, "heavy_atom_count": 10, "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": "13877-91-3@3779-61-1", "fema_number": "3539", "fema_flavor_profile": "Floral", "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+", "volume3d": "129.1", "fooddb_flavor_profile": "citrus@herbal@sweet@woody@tropical@terpene@herb@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009953", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@herbal@sweet@woody@tropical@terpene@herb@green"}, {"pubchem_id": 441005, "iupac_name": "(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene", "common_name": "(+)-delta-Cadinene", "smile": "CC1=CC2C(CCC(=C2CC1)C)C(C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 304.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "3.8", "charge": 0, "heavy_atom_count": 15, "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": "483-76-1", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1", "volume3d": "177.7", "fooddb_flavor_profile": "herbal@woody@thyme@wood@medicine@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013710", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "herbal@woody@thyme@wood@medicine@dry"}, {"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": 5281517, "iupac_name": "(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene", "common_name": "(E)-beta-farnesene", "smile": "CC(=CCCC(=CCCC(=C)C=C)C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 7, "complexity": 260.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "6.2", "charge": 0, "heavy_atom_count": 15, "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": "77129-48-7@18794-84-8", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+", "volume3d": "191.8", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 440917, "iupac_name": "(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene", "common_name": "D-Limonene", "smile": "CC1=CCC(CC1)C(=C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 163.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.4", "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": "5989-27-5, 68606-81-5@5989-27-5@65996-98-7", "fema_number": "2633", "fema_flavor_profile": "Citrus, Mint", "odor": "citrus odor", "taste": "fresh, citrus taste", "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1", "volume3d": "123.2", "fooddb_flavor_profile": "mint@lemon@citrus@orange@fresh@sweet", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014297", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mint@lemon@citrus@orange@fresh@sweet"}, {"pubchem_id": 31253, "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", "common_name": "Myrcene", "smile": "CC(=CCCC(=C)C=C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 4, "complexity": 145.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "4.3", "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": "123-35-3", "fema_number": "2762", "fema_flavor_profile": "Balsamic, Fruit, Geranium, Herb, Must", "odor": "pleasant@terpene odor", "taste": "sweet, citrus", "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3", "volume3d": "130.9", "fooddb_flavor_profile": "peppery@spice@balsamic@must@balsam@terpene@spicy@plastic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB017400", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peppery@spice@balsamic@must@balsam@terpene@spicy@plastic"}, {"pubchem_id": 6654, "iupac_name": "4,6,6-trimethylbicyclo[3.1.1]hept-3-ene", "common_name": "Alpha-Pinene", "smile": "CC1=CCC2CC1C2(C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 186.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "2.8", "charge": 0, "heavy_atom_count": 10, "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": "80-56-8@67762-73-6@25766-18-1@2437-95-8@7785-70-8", "fema_number": "2902", "fema_flavor_profile": "Cedarwood, Pine, Sharp", "odor": "characteristic odor of pine@odor of turpentine", "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3", "volume3d": "119.2", "fooddb_flavor_profile": "harsh@turpentine@minty@fresh@earthy@sweet@woody@terpene@pine@camphor", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013765", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "harsh@turpentine@minty@fresh@earthy@sweet@woody@terpene@pine@camphor"}, {"pubchem_id": 180, "iupac_name": "propan-2-one", "common_name": "acetone", "smile": "CC(=O)C", "molecular_weight": 58.08, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 26.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 58.042, "exact_mass": 58.042, "xlogp": "-0.1", "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": "4468-52-4@67-64-1", "fema_number": "3326", "fema_flavor_profile": "Pungent", "odor": "fruity odor@characteristic odor", "taste": "pungent, sweetish", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", "volume3d": "52.8", "fooddb_flavor_profile": "solvent@apple@pear@ethereal", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008301", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@apple@pear@ethereal"}, {"pubchem_id": 5364919, "iupac_name": "(Z)-pent-2-en-1-ol", "common_name": "cis-2-Penten-1-ol", "smile": "CCC=CCO", "molecular_weight": 86.134, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 39.2, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "0.9", "charge": 0, "heavy_atom_count": 6, "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": "1576-96-1@1576-95-0", "fema_number": "4305", "fema_flavor_profile": "Banana, Green, Rubber", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-", "volume3d": "77.8", "fooddb_flavor_profile": "rubber@ethereal@green@fruity@plastic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008239", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "rubber@ethereal@green@fruity@plastic"}, {"pubchem_id": 7460, "iupac_name": "2-methyl-5-propan-2-ylcyclohexa-1,3-diene", "common_name": "Alpha-Phellandrene", "smile": "CC1=CCC(C=C1)C(C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 161.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.2", "charge": 0, "heavy_atom_count": 10, "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": "99-83-2@1329-99-3@4221-98-1@34448-33-4", "fema_number": "2856", "fema_flavor_profile": "Citrus, Fresh, Mint, Pepper, Spice, Wood", "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3", "volume3d": "122.0", "fooddb_flavor_profile": "mint@citrus@peppery@spice@herbal@turpentine@woody@terpene@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014629", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mint@citrus@peppery@spice@herbal@turpentine@woody@terpene@green"}, {"pubchem_id": 6569, "iupac_name": "butan-2-one", "common_name": "2-Butanone", "smile": "CCC(=O)C", "molecular_weight": 72.107, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 38.9, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 72.058, "exact_mass": 72.058, "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": "78-93-3", "fema_number": "2170", "fema_flavor_profile": "Fragrant, Fruit, Pleasant", "odor": "acetone-like odor@sweet, pleasant, pungent@moderately sharp, fragrant, mint- or acetone-like odor", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3", "volume3d": "65.5", "fooddb_flavor_profile": "ethereal@ether@fruity@acetone@camphor", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003383", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@ether@fruity@acetone@camphor"}, {"pubchem_id": 92313, "iupac_name": "(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene", "common_name": "(-)-gamma-cadinene", "smile": "CC1=CC2C(CC1)C(=C)CCC2C(C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 282.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "4.3", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 3, "defined_atom_stereocenter_count": 3, "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": "1460-97-5@39029-41-9", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1", "volume3d": "178.1", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}, {"pubchem_id": 931, "iupac_name": "naphthalene", "common_name": "naphthalene", "smile": "C1=CC=C2C=CC=CC2=C1", "molecular_weight": 128.174, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 80.6, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 128.063, "exact_mass": 128.063, "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": "91-20-3@68412-25-9", "fema_number": null, "fema_flavor_profile": null, "odor": "aromatic odor@odor of mothballs@characteritic odor (plates)", "taste": null, "functional_groups": "aromatic compound", "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H", "volume3d": "103.0", "fooddb_flavor_profile": "dry@pungent@tarry@tar", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000954", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "dry@pungent@tarry@tar"}, {"pubchem_id": 14896, "iupac_name": "6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane", "common_name": "Beta-Pinene", "smile": "CC1(C2CCC(=C)C1C2)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 177.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.1", "charge": 0, "heavy_atom_count": 10, "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": "127-91-3@25719-60-2@127-91-3, 18172-67-3", "fema_number": "2903", "fema_flavor_profile": "Pine, Polish, Wood", "odor": "characteristic turpentine odor@dry, woody or resinous aroma@piney, turpentine-like odor@terpene odor", "taste": "piney, turpentine-like taste", "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3", "volume3d": "119.6", "fooddb_flavor_profile": "resinous@resin@turpentine@green@hay@woody@pine@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015464", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "resinous@resin@turpentine@green@hay@woody@pine@dry"}, {"pubchem_id": 26058, "iupac_name": "2,2,4,6,6-pentamethylheptane", "common_name": "2,2,4,6,6-Pentamethylheptane", "smile": "CC(CC(C)(C)C)CC(C)(C)C", "molecular_weight": 170.34, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 4, "complexity": 104.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 170.203, "exact_mass": 170.203, "xlogp": "5.6", "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": "13475-82-6", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": null, "inchi": "InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3", "volume3d": "162.2", "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": 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": 4133, "iupac_name": "methyl 2-hydroxybenzoate", "common_name": "methyl salicylate", "smile": "COC(=O)C1=CC=CC=C1O", "molecular_weight": 152.149, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 2, "complexity": 144.0, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 152.047, "exact_mass": 152.047, "xlogp": "2.3", "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": "119-36-8@68917-75-9@90045-28-6", "fema_number": "2745@3112@3113", "fema_flavor_profile": "Almond, Caramel, Peppermint, Sharp", "odor": "liquid having the characteristic odor of wintergreen", "taste": "liquid having the characteristic taste of wintergreen", "functional_groups": "hydroxy compound@phenol or hydroxyhetarene@carboxylic acid derivative@carboxylic acid ester@aromatic compound", "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3", "volume3d": "119.0", "fooddb_flavor_profile": "mint@wintergreen@peppermint", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012459", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mint@wintergreen@peppermint"}, {"pubchem_id": 240, "iupac_name": "benzaldehyde", "common_name": "benzaldehyde", "smile": "C1=CC=C(C=C1)C=O", "molecular_weight": 106.124, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 72.5, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 106.042, "exact_mass": 106.042, "xlogp": "1.5", "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": "100-52-7", "fema_number": "2127", "fema_flavor_profile": "Bitter Almond, Burnt Sugar, Cherry, Malt, Roasted Pepper", "odor": "characteristic odor or volatile oil of almond@odor resembling oil of bitter almond", "taste": "burning aromatic taste@similar to bitter almond", "functional_groups": "carbonyl compound@aldehyde@aromatic compound", "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H", "volume3d": "90.5", "fooddb_flavor_profile": "strong@sharp@burnt sugar@bitter@sweet@cherry@almond", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "15", "fooddb_id": "FDB014661", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cherry@almond@sweet@burnt sugar@sharp@strong@bitter"}, {"pubchem_id": 22311, "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", "common_name": "Dipentene", "smile": "CC1=CCC(CC1)C(=C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 163.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.4", "charge": 0, "heavy_atom_count": 10, "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": "7705-14-8@9003-73-0@8008-56-8@65996-98-7@8008-57-9@138-86-3@8028-38-4@0008008-57-9", "fema_number": "2625", "fema_flavor_profile": null, "odor": "characteristic odor ... becoming more pronounced and less agreeable on aging or exposure to air@penetrating odor@acquires terebinthinate odor upon oxidation@pleasant lemon-like@characteristic orange odor@characteristic odor of orange peels@citrus odor", "taste": "characteristic ... taste, ... becoming more pronounced and less agreeable on aging or exposure to air@sweet, citrus taste@characteristic orange taste@fresh, citrus taste", "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3", "volume3d": "122.9", "fooddb_flavor_profile": "lemon@citrus@orange@herbal@woody@terpene@citric@camphor", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014115", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@citrus@orange@herbal@woody@terpene@citric@camphor"}, {"pubchem_id": 244, "iupac_name": "phenylmethanol", "common_name": "benzyl alcohol", "smile": "C1=CC=C(C=C1)CO", "molecular_weight": 108.14, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 55.4, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 108.058, "exact_mass": 108.058, "xlogp": "1.1", "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": "100-51-6", "fema_number": "2137", "fema_flavor_profile": "Boiled Cherries, Moss, Roasted Bread, Rose", "odor": "faint aromatic odor", "taste": "sharp burning taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol@aromatic compound", "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2", "volume3d": "92.4", "fooddb_flavor_profile": "berry@balsamic@rose@floral@walnut@sweet@cherry@phenolic@flower@grapefruit", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008745", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "berry@balsamic@rose@floral@walnut@sweet@cherry@phenolic@flower@grapefruit"}, {"pubchem_id": 1068, "iupac_name": "methylsulfanylmethane", "common_name": "dimethyl sulfide", "smile": "CSC", "molecular_weight": 62.13, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 2.8, "topological_polor_surfacearea": 25.3, "monoisotopic_mass": 62.019, "exact_mass": 62.019, "xlogp": "0.9", "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": "31533-72-9@75-18-3", "fema_number": "2746", "fema_flavor_profile": "Cabbage, Organic, Sulfur, Wet Earth", "odor": "unpleasant odor of wild radish, cabbage-like", "taste": "characteristic flavor", "functional_groups": "thioether", "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3", "volume3d": "53.0", "fooddb_flavor_profile": "sulfur@sulfurous@cabbage@onion@gasoline@vegetable@sulfury@sweet corn@tomato@radish@wild@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003591", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sulfur@sulfurous@cabbage@onion@gasoline@vegetable@sulfury@sweet corn@tomato@radish@wild@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": 5281167, "iupac_name": "(Z)-hex-3-en-1-ol", "common_name": "(Z)-Hex-3-en-1-ol", "smile": "CCC=CCCO", "molecular_weight": 100.161, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 48.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 100.089, "exact_mass": 100.089, "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": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "928-96-1@928-97-2", "fema_number": "2563", "fema_flavor_profile": "Grass, Green Fruit, Green Leaf, Herb, Unripe Banana", "odor": "powerful grassy-green odor@strong odor resembling that of isoamyl alcohol, approaching the odor of green leaves when highly dilute@characteristic odor of freshly cut grass@green, grassy, melon rind-like with a pungent freshness", "taste": "fresh, green, raw fruity with a pungent depth", "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-", "volume3d": "90.5", "fooddb_flavor_profile": "leafy@grass@foliage@vegetable@herbal@fresh@cut grass@oily@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011497", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@grass@foliage@vegetable@herbal@fresh@cut grass@oily@green"}, {"pubchem_id": 12020, "iupac_name": "pent-1-en-3-ol", "common_name": "1-Penten-3-Ol", "smile": "CCC(C=C)O", "molecular_weight": 86.134, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 41.2, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "1.1", "charge": 0, "heavy_atom_count": 6, "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": "616-25-1", "fema_number": "3584", "fema_flavor_profile": "Butter, Fish, Green, Oxidized, Wet Earth", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@alkene", "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3", "volume3d": "78.1", "fooddb_flavor_profile": "butter@vegetable@bitter@horseradish@pungent@tropical@fruity@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "776", "fooddb_id": "FDB008240", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@pungent@tropical@horseradish@green@vegetable@bitter@fruity"}, {"pubchem_id": 702, "iupac_name": "ethanol", "common_name": "ethanol", "smile": "CCO", "molecular_weight": 46.069, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 2.8, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 46.042, "exact_mass": 46.042, "xlogp": "-0.1", "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": "64-17-5, 97281-11-3@71329-38-9@68475-56-9@68916-39-2@71076-86-3@64-17-5", "fema_number": "2419", "fema_flavor_profile": null, "odor": "mild, rather pleasant@like wine or whiskey@weak, ethereal, vinous odor", "taste": "burning", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", "volume3d": "41.5", "fooddb_flavor_profile": "alcoholic@ethereal@medical@sweet@strong", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB000753", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "alcoholic@ethereal@medical@sweet@strong"}, {"pubchem_id": 7895, "iupac_name": "pentan-2-one", "common_name": "2-Pentanone", "smile": "CCCC(=O)C", "molecular_weight": 86.134, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 47.9, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 86.073, "exact_mass": 86.073, "xlogp": "0.9", "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": "107-87-9", "fema_number": "2842", "fema_flavor_profile": "Fruit, Pungent", "odor": "characteristic acetone-like odor", "taste": null, "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", "volume3d": "78.3", "fooddb_flavor_profile": "potato@alcohol@ether@ethereal@wine@banana@fishy@fruit@sweet@woody@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012547", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "potato@alcohol@ether@ethereal@wine@banana@fishy@fruit@sweet@woody@fruity"}, {"pubchem_id": 93081, "iupac_name": null, "common_name": "beta-Cubebene", "smile": "CC1CCC(C2C13C2C(=C)CC3)C(C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 301.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "4.7", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 5, "defined_atom_stereocenter_count": 5, "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": "13744-15-5", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1", "volume3d": "175.7", "fooddb_flavor_profile": "fruity@citrus@fruit", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB004832", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fruity@citrus@fruit"}, {"pubchem_id": 5281520, "iupac_name": "(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene", "common_name": "Humulene", "smile": "CC1=CCC(C=CCC(=CCC1)C)(C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 287.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "4.5", "charge": 0, "heavy_atom_count": 15, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 3, "defined_bond_stereocenter_count": 3, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "6753-98-6", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+", "volume3d": "185.4", "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": 26049, "iupac_name": "4,7,7-trimethylbicyclo[4.1.0]hept-3-ene", "common_name": "3-Carene", "smile": "CC1=CCC2C(C1)C2(C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 186.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "2.8", "charge": 0, "heavy_atom_count": 10, "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": "74806-04-5@13466-78-9", "fema_number": "3821", "fema_flavor_profile": "Lemon", "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3", "volume3d": "119.9", "fooddb_flavor_profile": "lemon@citrus@sweet@resin", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014324", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@citrus@sweet@resin"}, {"pubchem_id": 7461, "iupac_name": "1-methyl-4-propan-2-ylcyclohexa-1,4-diene", "common_name": "Gamma-Terpinene", "smile": "CC1=CCC(=CC1)C(C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 171.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "2.8", "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": "99-85-4", "fema_number": "3559", "fema_flavor_profile": "Bitter, Citrus", "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3", "volume3d": "120.9", "fooddb_flavor_profile": "lemon@lime@gasoline@herbal@turpentine@bitter@oily@woody@tropical@terpene", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "756", "fooddb_id": "FDB015968", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@gasoline@tropical@terpene@turpentine@herbal@woody@bitter@oily@lime"}, {"pubchem_id": 1140, "iupac_name": "toluene", "common_name": "toluene", "smile": "CC1=CC=CC=C1", "molecular_weight": 92.141, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 42.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 92.063, "exact_mass": 92.063, "xlogp": "2.7", "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": "50643-04-4@108-88-3", "fema_number": null, "fema_flavor_profile": null, "odor": "sweet, pungent, benzene-like odor", "taste": null, "functional_groups": "aromatic compound", "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", "volume3d": "80.1", "fooddb_flavor_profile": "paint@sweet", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012454", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "paint@sweet"}, {"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": 439250, "iupac_name": "(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene", "common_name": "(-)-Limonene", "smile": "CC1=CCC(CC1)C(=C)C", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 163.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 136.125, "exact_mass": 136.125, "xlogp": "3.4", "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": "5989-54-8", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1", "volume3d": "123.2", "fooddb_flavor_profile": "peppery@herbal@camphoraceous@terpene@pine", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013861", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peppery@herbal@camphoraceous@terpene@pine"}]}