{"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"}