{"entity_id": 237, "category": "fruit-citrus", "category_readable": "Fruit Citrus", "entity_alias": "citrus", "entity_alias_basket": "citrus-fruitjuice, citrus-fruits", "entity_alias_readable": "Citrus Fruits", "entity_alias_synonyms": "Citrus Fruits", "entity_alias_url": "https://en.wikipedia.org/wiki/Citrus", "natural_source_name": "Citrus", "natural_source_url": "https://en.wikipedia.org/wiki/Citrus", "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, "covalently_bonded_unit_count": 1, "cas_id": "98-01-1@8030-97-5", "fema_number": "2489", "fema_flavor_profile": "Almond, Baked Potatoes, Bread, Burnt, Spice", "odor": "peculiar odor, somewhat resembling the odor of benzaldehyde@... almond-like odor ...", "taste": "distinct caramel taste", "functional_groups": "carbonyl compound@aldehyde@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H", "volume3d": "77.1", "fooddb_flavor_profile": "fragrant@bread@woody@sweet@baked@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB010897", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fragrant@bread@woody@sweet@baked@almond"}, {"pubchem_id": 8048, "iupac_name": "ethyl decanoate", "common_name": "Ethyl Decanoate", "smile": "CCCCCCCCCC(=O)OCC", "molecular_weight": 200.322, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 10, "complexity": 132.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 200.178, "exact_mass": 200.178, "xlogp": "4.6", "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": "110-38-3", "fema_number": "2432", "fema_flavor_profile": "Brandy, Grape, Pear", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3", "volume3d": "177.4", "fooddb_flavor_profile": "apple@brandy@waxy@grape@oily@sweet@fruity@pear", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002986", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@brandy@waxy@grape@oily@sweet@fruity@pear"}, {"pubchem_id": 31291, "iupac_name": "tetradecanal", "common_name": "Tetradecanal", "smile": "CCCCCCCCCCCCCC=O", "molecular_weight": 212.377, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 12, "complexity": 121.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 212.214, "exact_mass": 212.214, "xlogp": "6.0", "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": "124-25-4", "fema_number": "2763", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3", "volume3d": "195.5", "fooddb_flavor_profile": "citrus peel@incense@amber@wax@waxy@fatty@musk@flower@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012621", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus peel@incense@amber@wax@waxy@fatty@musk@flower@dry"}, {"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": 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": 1549026, "iupac_name": "[(2E)-3,7-dimethylocta-2,6-dienyl] acetate", "common_name": "Geranyl Acetate", "smile": "CC(=CCCC(=CCOC(=O)C)C)C", "molecular_weight": 196.29, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 233.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 196.146, "exact_mass": 196.146, "xlogp": "3.5", "charge": 0, "heavy_atom_count": 14, "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": "33843-18-4@16409-44-2@68311-13-7@105-87-3", "fema_number": "2509", "fema_flavor_profile": "Lavender, Rose", "odor": "odor of lavender@sweet, fruity-floral, rosy, somewhat green and remotely lavender-like odor of moderate tenacity.@sweet, fragrant odor", "taste": "taste threshold values: taste characteristics at 20 ppm: green, floral, fruity with a citrus nuance@sweet, fruity, overall nondescript taste with notes resembling those of banana, pear, apple and peach, but not a purely sweet aftertaste.", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+", "volume3d": "172.4", "fooddb_flavor_profile": "rose@waxy@bitter@floral@lavender@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "741", "fooddb_id": "FDB013794", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "waxy@rose@lavender@green@floral@bitter"}, {"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": 637566, "iupac_name": "(2E)-3,7-dimethylocta-2,6-dien-1-ol", "common_name": "Geraniol", "smile": "CC(=CCCC(=CCO)C)C", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 150.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "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": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "106-24-1@624-15-7@68311-14-8", "fema_number": "2507", "fema_flavor_profile": "Geranium, Lemon Peel, Passion Fruit, Peach, Rose", "odor": "sweet rose odor@pleasant geranium-like odor@pleasant, floral odor", "taste": "taste threshold values: taste characteristics at 10 ppm@sweet floral rose, citrus with fruity, waxy nuances", "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+", "volume3d": "140.6", "fooddb_flavor_profile": "citrus@rose@waxy@floral@sweet@fruity@geranium", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB013792", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@rose@waxy@floral@sweet@fruity@geranium"}, {"pubchem_id": 957, "iupac_name": "octan-1-ol", "common_name": "1-octanol", "smile": "CCCCCCCCO", "molecular_weight": 130.231, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 6, "complexity": 43.8, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 130.136, "exact_mass": 130.136, "xlogp": "3.0", "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": "220713-26-8@67700-96-3@111-87-5@68603-15-6", "fema_number": "2800", "fema_flavor_profile": "Bitter Almond, Burnt Matches, Fat, Floral", "odor": "fresh orange rose odor@penetrating aromatic odor", "taste": "oily, sweet, slightly herbaceous taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", "volume3d": "119.3", "fooddb_flavor_profile": "burnt@orange@rose@waxy@chemical@metal@aldehydic@mushroom@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012583", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "burnt@orange@rose@waxy@chemical@metal@aldehydic@mushroom@green"}, {"pubchem_id": 31289, "iupac_name": "nonanal", "common_name": "Nonanal", "smile": "CCCCCCCCC=O", "molecular_weight": 142.242, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 69.1, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 142.136, "exact_mass": 142.136, "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": "124-19-6", "fema_number": "2782", "fema_flavor_profile": "Fat, Floral, Green, Lemon", "odor": "orange-rose odor@floral, waxy, green", "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3", "volume3d": "130.4", "fooddb_flavor_profile": "citrus@lime@orange peel@rose@fat@green@fishy@waxy@fresh@fatty@peely@aldehydic@orris@grapefruit", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003303", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@lime@orange peel@rose@fat@green@fishy@waxy@fresh@fatty@peely@aldehydic@orris@grapefruit"}, {"pubchem_id": 8184, "iupac_name": "undecan-1-ol", "common_name": "1-Undecanol", "smile": "CCCCCCCCCCCO", "molecular_weight": 172.312, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 9, "complexity": 71.4, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 172.183, "exact_mass": 172.183, "xlogp": "4.6", "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": "30207-98-8@143819-62-9@112-42-5", "fema_number": "3097", "fema_flavor_profile": "Mandarin", "odor": "citrus", "taste": "fatty flavor@citrus", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3", "volume3d": "158.6", "fooddb_flavor_profile": "citrus@clean clothes@rose@waxy@fresh@mandarin@floral@soapy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB002917", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@clean clothes@rose@waxy@fresh@mandarin@floral@soapy"}, {"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": 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": 998, "iupac_name": "2-phenylacetaldehyde", "common_name": "phenylacetaldehyde", "smile": "C1=CC=C(C=C1)CC=O", "molecular_weight": 120.151, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 82.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 120.058, "exact_mass": 120.058, "xlogp": "1.8", "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": "122-78-1@56767-17-0", "fema_number": "2874", "fema_flavor_profile": "Berry, Geranium, Honey, Nut, Pungent", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@aromatic compound", "inchi": "InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2", "volume3d": "103.1", "fooddb_flavor_profile": "hawthorne@green@bitter@floral@sweet@cocoa@honey@peanut@hyacinth@clover@grapefruit", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "746", "fooddb_id": "FDB012238", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "hyacinth@honey@clover@sweet@hawthorne@cocoa@grapefruit@green@peanut@floral@bitter"}, {"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": 8918, "iupac_name": "nonyl acetate", "common_name": "Nonyl Acetate", "smile": "CCCCCCCCCOC(=O)C", "molecular_weight": 186.295, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 9, "complexity": 121.0, "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": "143-13-5", "fema_number": "2788", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3", "volume3d": "164.7", "fooddb_flavor_profile": "gardenia@waxy@bitter@fruit@sweet@clean@tropical@fruity@soapy@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "771", "fooddb_id": "FDB019984", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "waxy@gardenia@soapy@tropical@fruit@green@clean@sweet@bitter@fruity"}, {"pubchem_id": 11463, "iupac_name": "1-methyl-4-propan-2-ylidenecyclohexene", "common_name": "Terpinolene", "smile": "CC1=CCC(=C(C)C)CC1", "molecular_weight": 136.238, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 0, "complexity": 178.0, "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": "586-62-9", "fema_number": "3046", "fema_flavor_profile": "Pine", "odor": "sweet, pine odor@pine-like aroma", "taste": "somewhat sweet, citrus flavor@terpene taste", "functional_groups": "alkene", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3", "volume3d": "122.4", "fooddb_flavor_profile": "citrus@fresh@sweet@woody@pine@plastic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015966", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@fresh@sweet@woody@pine@plastic"}, {"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": 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": 62328, "iupac_name": "2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate", "common_name": "Terpinyl propionate", "smile": "CCC(=O)OC(C)(C)C1CCC(=CC1)C", "molecular_weight": 210.317, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 264.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 210.162, "exact_mass": 210.162, "xlogp": "2.9", "charge": 0, "heavy_atom_count": 15, "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": "80-27-3@62395-45-3", "fema_number": "3053", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3", "volume3d": "174.9", "fooddb_flavor_profile": "citrus@herbal@bitter@old wood@tropical@geranium@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "786", "fooddb_id": "FDB008757", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@geranium@tropical@old wood@green@herbal@bitter"}, {"pubchem_id": 5284507, "iupac_name": "(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol", "common_name": "Nerolidol", "smile": "CC(=CCCC(=CCCC(C)(C=C)O)C)C", "molecular_weight": 222.372, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 269.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 222.198, "exact_mass": 222.198, "xlogp": "4.6", "charge": 0, "heavy_atom_count": 16, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "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": "40716-66-3@7212-44-4@142-50-7", "fema_number": "2772", "fema_flavor_profile": "Fir, Linoleum, Pine", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@tertiary alcohol@alkene", "inchi": "InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+", "volume3d": "201.1", "fooddb_flavor_profile": "citrus@wax@waxy@floral@woody@wood@flower@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014378", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@wax@waxy@floral@woody@wood@flower@green"}, {"pubchem_id": 9855795, "iupac_name": "(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene", "common_name": "Valencene", "smile": "CC1CCC=C2C1(CC(CC2)C(=C)C)C", "molecular_weight": 204.357, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 297.0, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 204.188, "exact_mass": 204.188, "xlogp": "5.2", "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": "4630-07-3", "fema_number": "3443", "fema_flavor_profile": "Citrus, Green, Oil, Wood", "odor": null, "taste": null, "functional_groups": "alkene", "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1", "volume3d": "178.5", "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": 402, "iupac_name": "sulfane", "common_name": "hydrogen sulfide", "smile": "S", "molecular_weight": 34.076, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 0.0, "topological_polor_surfacearea": 1.0, "monoisotopic_mass": 33.988, "exact_mass": 33.988, "xlogp": "0.5", "charge": 0, "heavy_atom_count": 1, "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": "7783-06-4@37331-50-3", "fema_number": "3779", "fema_flavor_profile": null, "odor": "pure sulfur is odorless, but traces of hydrocarbon impurity may impart an oily and/or rotten egg odor", "taste": "faint taste@tasteless", "functional_groups": null, "inchi": "InChI=1S/H2S/h1H2", "volume3d": "24.4", "fooddb_flavor_profile": "egg@rotten", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009599", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "egg@rotten"}, {"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": 381152, "iupac_name": "3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one", "common_name": "Piperitenone", "smile": "CC1=CC(=O)C(=C(C)C)CC1", "molecular_weight": 150.221, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 240.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 150.104, "exact_mass": 150.104, "xlogp": "2.2", "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": "491-09-8", "fema_number": "3560", "fema_flavor_profile": "Mint, Sharp", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3", "volume3d": "129.8", "fooddb_flavor_profile": "minty@sharp@phenolic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015974", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "minty@sharp@phenolic"}, {"pubchem_id": 8175, "iupac_name": "decanal", "common_name": "Decanal", "smile": "CCCCCCCCCC=O", "molecular_weight": 156.269, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 8, "complexity": 78.9, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 156.151, "exact_mass": 156.151, "xlogp": "3.8", "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": "112-31-2@112-81-2", "fema_number": "2362", "fema_flavor_profile": "Floral, Fried, Orange Peel, Penetrating, Tallow", "odor": "floral-fatty odor@citrus odor@similar to that of an orange peel@penetrating, sweet, waxy, floral, citrus, pronounced fatty odor that develops a floral character on dilution", "taste": "fatty, citrus-like odor@sharp, orange flavor", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3", "volume3d": "143.3", "fooddb_flavor_profile": "citrus@soap@orange peel@tallow@waxy@floral@sweet@aldehydic", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012768", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@soap@orange peel@tallow@waxy@floral@sweet@aldehydic"}, {"pubchem_id": 2758, "iupac_name": "2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane", "common_name": "Eucalyptol", "smile": "CC1(C2CCC(O1)(CC2)C)C", "molecular_weight": 154.253, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 164.0, "topological_polor_surfacearea": 9.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "2.5", "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": "8024-53-1@470-82-6@8000-48-4", "fema_number": "2465", "fema_flavor_profile": "Camphor, Cool, Eucalyptol, Mint", "odor": "camphor-like odor", "taste": "eucalyptus, bitter-sweet flavor@pungent, cooling, spicy taste", "functional_groups": "ether@dialkyl ether@heterocyclic compound", "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3", "volume3d": "128.0", "fooddb_flavor_profile": "mint@pepper@herbal@eucalyptus@sweet@camphor", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014616", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mint@pepper@herbal@eucalyptus@sweet@camphor"}, {"pubchem_id": 11173, "iupac_name": "3-methylbut-2-en-1-ol", "common_name": "3-Methyl-2-Buten-1-Ol", "smile": "CC(=CCO)C", "molecular_weight": 86.134, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 51.0, "topological_polor_surfacearea": 20.2, "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": "556-82-1", "fema_number": "3647", "fema_flavor_profile": "Cooked Nut, Fruit, Herb, Oil", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3", "volume3d": "78.2", "fooddb_flavor_profile": "lavender@fruity@herb@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB001927", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lavender@fruity@herb@green"}, {"pubchem_id": 8914, "iupac_name": "nonan-1-ol", "common_name": "1-Nonanol", "smile": "CCCCCCCCCO", "molecular_weight": 144.258, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 7, "complexity": 52.7, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 144.151, "exact_mass": 144.151, "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": "143-08-8@28473-21-4", "fema_number": "2789", "fema_flavor_profile": "Fat, Floral, Green, Oil", "odor": "floral odor@odor of citronella oil", "taste": null, "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", "volume3d": "132.5", "fooddb_flavor_profile": "orange@rose@wet@fat@fresh@bitter@fatty@floral@oily@clean@dusty@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "770", "fooddb_id": "FDB003307", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "fatty@dusty@rose@fat@floral@green@clean@wet@orange@fresh@bitter@oily"}, {"pubchem_id": 17100, "iupac_name": "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol", "common_name": "alpha-TERPINEOL", "smile": "CC1=CCC(CC1)C(C)(C)O", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 168.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 11, "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": "8000-41-7@10482-56-1@2438-12-2@98-55-5", "fema_number": "3045", "fema_flavor_profile": "Anise, Fresh, Mint, Oil", "odor": "floral, lilac", "taste": "lime (distilled)@peach, floral (lilac) flavor@sweet, lime taste", "functional_groups": "hydroxy compound@alcohol@tertiary alcohol@alkene", "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3", "volume3d": "132.2", "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": 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": 6549, "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", "common_name": "Linalool", "smile": "CC(=CCCC(C)(C=C)O)C", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 154.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "2.7", "charge": 0, "heavy_atom_count": 11, "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": "22564-99-4@78-70-6", "fema_number": "2635", "fema_flavor_profile": "Coriander, Floral, Lavender, Lemon, Rose", "odor": "odor similar to that of bergamot oil and french lavender@typical floral odor free from camphoraceous and terpenic notes@floral, spicy, wood odor@flowery-fresh odor and reminiscent of lily of the valley", "taste": "taste characteristics at 30 ppm: floral, woody, sweet with a green, spicy tropical nuance@flavor characteristics: light, floral@spicy, citrus taste", "functional_groups": "hydroxy compound@alcohol@tertiary alcohol@alkene", "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3", "volume3d": "139.5", "fooddb_flavor_profile": "lemon@citrus@orange@floral@sweet@woody@blueberry@bois de rose@lavender@flower@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014940", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@citrus@orange@floral@sweet@woody@blueberry@bois de rose@lavender@flower@green"}, {"pubchem_id": 7359, "iupac_name": "2-ethylbutanal", "common_name": "2-Ethylbutanal", "smile": "CCC(CC)C=O", "molecular_weight": 100.161, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 46.1, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 100.089, "exact_mass": 100.089, "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": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "97-96-1", "fema_number": "2426", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3", "volume3d": "90.7", "fooddb_flavor_profile": "ethereal@cocoa@sweet@fruity@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003244", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ethereal@cocoa@sweet@fruity@green"}, {"pubchem_id": 54670067, "iupac_name": "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one", "common_name": "l-ascorbic acid", "smile": "C(C(C1C(=C(C(=O)O1)O)O)O)O", "molecular_weight": 176.124, "hbd_count": 4, "hba_count": 6, "num_rotatablebonds": 2, "complexity": 232.0, "topological_polor_surfacearea": 107.0, "monoisotopic_mass": 176.032, "exact_mass": 176.032, "xlogp": "-1.6", "charge": 0, "heavy_atom_count": 12, "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": "299-36-5@50-81-7@53262-66-1@6730-29-6", "fema_number": "2109", "fema_flavor_profile": null, "odor": "odorless", "taste": "pleasant, sharp, acidic taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol@secondary alcohol@1,2-diol@enediol@carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1", "volume3d": "120.9", "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": 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": 643820, "iupac_name": "(2Z)-3,7-dimethylocta-2,6-dien-1-ol", "common_name": "nerol", "smile": "CC(=CCCC(=CCO)C)C", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 150.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "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": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "106-25-2", "fema_number": "2770", "fema_flavor_profile": "Floral, Fruit", "odor": "sweet rose@the odor of pure nerol is sweet, rosy refreshing and wet\" seashore\"", "taste": "bitter flavor@fresh, citrus, floral, green, sweet, lemon/lime and waxy with a spicy depth", "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-", "volume3d": "140.1", "fooddb_flavor_profile": "citrus@magnolia@neroli@bitter@sweet@natural", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "791", "fooddb_id": "FDB014945", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "neroli@natural@citrus@sweet@magnolia@bitter"}, {"pubchem_id": 8908, "iupac_name": "hexyl acetate", "common_name": "Hexyl acetate", "smile": "CCCCCCOC(=O)C", "molecular_weight": 144.214, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 89.3, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 144.115, "exact_mass": 144.115, "xlogp": "2.4", "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": "142-92-7, 88230-35-7@142-92-7@88230-35-7", "fema_number": "2565", "fema_flavor_profile": "Apple, Banana, Grass, Herb, Pear", "odor": "sweet-fruity, pearl-like odor@sweet ester odor", "taste": "bittersweet taste suggestive of pear", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3", "volume3d": "125.7", "fooddb_flavor_profile": "apple@banana@bitter@fruit@sweet@fruity@herb@green", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "726", "fooddb_id": "FDB001267", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@sweet@banana@fruit@green@herb@bitter@fruity"}, {"pubchem_id": 16441, "iupac_name": "4-prop-1-en-2-ylcyclohexene-1-carbaldehyde", "common_name": "Perillaldehyde", "smile": "CC(=C)C1CCC(=CC1)C=O", "molecular_weight": 150.221, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 201.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 150.104, "exact_mass": 150.104, "xlogp": "2.6", "charge": 0, "heavy_atom_count": 11, "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": "2111-75-3", "fema_number": "3557", "fema_flavor_profile": "Cherry, Fat, Green, Pungent, Sour, Spice", "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3", "volume3d": "129.6", "fooddb_flavor_profile": "mint@spice@fat@herbal@fresh@oily@fatty@sweet@cherry@grassy@cumin@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014789", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mint@spice@fat@herbal@fresh@oily@fatty@sweet@cherry@grassy@cumin@green"}, {"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": 61293, "iupac_name": "ethyl 3-hydroxyhexanoate", "common_name": "Ethyl 3-hydroxyhexanoate", "smile": "CCCC(CC(=O)OCC)O", "molecular_weight": 160.213, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 6, "complexity": 112.0, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 160.11, "exact_mass": 160.11, "xlogp": "1.0", "charge": 0, "heavy_atom_count": 11, "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": "2305-25-1", "fema_number": "3545", "fema_flavor_profile": "Floral, Fresh, Fruit, Passion Fruit, Rubber", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3", "volume3d": "133.0", "fooddb_flavor_profile": "citrus@pineapple@smoky@grape@fresh@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008100", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@pineapple@smoky@grape@fresh@fruity"}, {"pubchem_id": 7463, "iupac_name": "1-methyl-4-propan-2-ylbenzene", "common_name": "P-Cymene", "smile": "CC1=CC=C(C=C1)C(C)C", "molecular_weight": 134.222, "hbd_count": 0, "hba_count": 0, "num_rotatablebonds": 1, "complexity": 86.2, "topological_polor_surfacearea": 0.0, "monoisotopic_mass": 134.11, "exact_mass": 134.11, "xlogp": "4.1", "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": "99-87-6@4939-75-7@25155-15-1", "fema_number": "2356", "fema_flavor_profile": "Citrus, Fresh, Solvent", "odor": "sweetish aromatic odor@mild pleasant odor@when pure, has a weak citrus odor", "taste": null, "functional_groups": "aromatic compound", "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3", "volume3d": "116.8", "fooddb_flavor_profile": "solvent@citrus@spice@gasoline@fresh@woody@terpene", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB017358", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@citrus@spice@gasoline@fresh@woody@terpene"}, {"pubchem_id": 8294, "iupac_name": "3,7-dimethylocta-1,6-dien-3-yl acetate", "common_name": "Linalyl Acetate", "smile": "CC(=CCCC(C)(C=C)OC(=O)C)C", "molecular_weight": 196.29, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 237.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 196.146, "exact_mass": 196.146, "xlogp": "3.3", "charge": 0, "heavy_atom_count": 14, "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": "40135-38-4@115-95-7", "fema_number": "2636", "fema_flavor_profile": "Fruit", "odor": "...floral-fruity odor, reminiscent of bergamot and it also has some pear character@bergamot-lavender odor@sweet, floral-fruity odor recalling bergamot and pear.", "taste": "persistent sweet, acrid taste@sweet, fruity, pear-like with a faintly floral note", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3", "volume3d": "169.4", "fooddb_flavor_profile": "citrus@fruit@sweet@woody@bergamot@lavender@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB019133", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@fruit@sweet@woody@bergamot@lavender@green"}]}