{"entity_id": 124, "category": "essentialoil", "category_readable": "Essential Oil", "entity_alias": "sage-clarysage", "entity_alias_basket": "sage-clarysage", "entity_alias_readable": "Clary Sage", "entity_alias_synonyms": "Clary", "entity_alias_url": "https://en.wikipedia.org/wiki/Salvia_sclarea", "natural_source_name": "Salvia", "natural_source_url": "https://en.wikipedia.org/wiki/Salvia", "molecules": [{"pubchem_id": 8063, "iupac_name": "pentanal", "common_name": "Pentanal", "smile": "CCCCC=O", "molecular_weight": 86.134, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 32.9, "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": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, 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"complexity": 322.0, "topological_polor_surfacearea": 9.2, "monoisotopic_mass": 236.214, "exact_mass": 236.214, "xlogp": "4.7", "charge": 0, "heavy_atom_count": 17, "atom_stereo_count": 4, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 4, "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": "3738-00-9@6790-58-5", "fema_number": "3471", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "ether@dialkyl ether@heterocyclic compound", "inchi": "InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3", "volume3d": "196.2", "fooddb_flavor_profile": "ambergris@old paper@sweet@labdanum@dry", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB015782", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "ambergris@old paper@sweet@labdanum@dry"}, {"pubchem_id": 638011, "iupac_name": "(2E)-3,7-dimethylocta-2,6-dienal", "common_name": "Citral", "smile": "CC(=CCCC(=CC=O)C)C", "molecular_weight": 152.237, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 171.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 152.12, "exact_mass": 152.12, "xlogp": "3.0", "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": "5392-40-5@147060-73-9@141-27-5", "fema_number": "2303", "fema_flavor_profile": "Lemon", "odor": "strong lemon odor", "taste": "taste threshold values: detection: 28 to 120 ppb@alpha-citral, 32 to 460 ppb@beta-citral, 30 to 460 ppb.@characteristic bittersweet", "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+", "volume3d": "138.6", "fooddb_flavor_profile": "lemon@mint@citrus@sharp@bitter@sweet", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "740", "fooddb_id": "FDB013702", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lemon@citrus@bitter@sweet@sharp@mint"}, {"pubchem_id": 19602, "iupac_name": "2-pentylfuran", "common_name": "2-Pentylfuran", "smile": "CCCCCC1=CC=CO1", "molecular_weight": 138.21, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 4, "complexity": 80.8, "topological_polor_surfacearea": 13.1, "monoisotopic_mass": 138.104, "exact_mass": 138.104, "xlogp": "3.7", "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": "64079-01-2@3777-69-3", "fema_number": "3317", "fema_flavor_profile": "Butter, Floral, Fruit, Green Bean", "odor": null, "taste": null, "functional_groups": "aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3", "volume3d": "122.0", "fooddb_flavor_profile": "butter@green bean@vegetable@earthy@beany@fruity@metallic@green", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003089", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "butter@green bean@vegetable@earthy@beany@fruity@metallic@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, 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"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": 6054, "iupac_name": "2-phenylethanol", "common_name": "2-Phenylethanol", "smile": "C1=CC=C(C=C1)CCO", "molecular_weight": 122.167, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 65.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 122.073, "exact_mass": 122.073, "xlogp": "1.4", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, 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"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": 6321405, "iupac_name": "(1R,3R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol", "common_name": "Isoborneol", "smile": "CC1(C2CCC1(C(C2)O)C)C", "molecular_weight": 154.253, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 185.0, "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": 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": "10334-13-1@507-70-0@124-76-5", "fema_number": "2157@2158", "fema_flavor_profile": "Camphor, Fragrant, Green, Polish@Camphor, Must", "odor": "piney, camphoraceous odor", "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1", "volume3d": "131.4", "fooddb_flavor_profile": "must@herbal@woody@balsam@camphor", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB009636", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "must@herbal@woody@balsam@camphor"}, {"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, 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