{"entity_id": 309, "category": "plant", "category_readable": "Plant", "entity_alias": "sassafras", "entity_alias_basket": "sassafras", "entity_alias_readable": "Sassafras", "entity_alias_synonyms": "Sassafras", "entity_alias_url": "https://en.wikipedia.org/wiki/Sassafras", "natural_source_name": "Sassafras", "natural_source_url": "https://en.wikipedia.org/wiki/Sassafras", "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, "covalently_bonded_unit_count": 1, "cas_id": "27154-67-2@110-62-3", "fema_number": "3098", "fema_flavor_profile": "Almond, Bitter, Malt, Oil, Pungent", "odor": "powerful, acrid, pungent odor@strong, acrid, pungent odor", "taste": "warm, slightly fruity, & nut-like at low levels@pleasant, chocolate aroma & taste@... it has sharp, penetrating flavor", "functional_groups": "carbonyl compound@aldehyde", "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3", "volume3d": "78.3", "fooddb_flavor_profile": "bready@fermented@berry@malt@pungent@fruity@nutty@almond", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003228", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bready@fermented@berry@malt@pungent@fruity@nutty@almond"}, {"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, 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"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": 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"}, {"pubchem_id": 5144, "iupac_name": "5-prop-2-enyl-1,3-benzodioxole", "common_name": "safrole", "smile": "C=CCC1=CC2=C(C=C1)OCO2", "molecular_weight": 162.188, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 2, "complexity": 167.0, "topological_polor_surfacearea": 18.5, "monoisotopic_mass": 162.068, "exact_mass": 162.068, "xlogp": "3.0", "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": "94-59-7", "fema_number": null, "fema_flavor_profile": null, "odor": "sassafras odor", "taste": null, "functional_groups": "acetal@alkene@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2", "volume3d": "130.9", "fooddb_flavor_profile": "spice@warm@floral@sassafrass@sweet@woody@anise@spicy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011672", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "spice@warm@floral@sassafrass@sweet@woody@anise@spicy"}, {"pubchem_id": 159055, "iupac_name": "(1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one", "common_name": "D-Camphor", "smile": "CC1(C2CCC1(C(=O)C2)C)C", "molecular_weight": 152.237, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 217.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 152.12, "exact_mass": 152.12, "xlogp": "2.2", "charge": 0, "heavy_atom_count": 11, "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": "8022-77-3@464-49-3", "fema_number": "2230", "fema_flavor_profile": "Camphor, Earth, Pine, Spice", "odor": "fragrant and penetrating odor@penetrating aromatic odor", "taste": "pungent aromatic taste", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1", "volume3d": "131.3", "fooddb_flavor_profile": "herbal@bitter@woody@minty@camphor@medicinal@phenolic", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "738", "fooddb_id": "FDB009067", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "phenolic@minty@camphor@medicinal@herbal@woody@bitter"}, {"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": 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"}]}