{"pubchem_id": 26396, "iupac_name": "6-ethenyl-2,2,6-trimethyloxan-3-ol", "common_name": "14049-11-7", "smile": "CC1(C(CCC(O1)(C)C=C)O)C", "molecular_weight": 170.252, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 1, "complexity": 186.0, "topological_polor_surfacearea": 29.5, "monoisotopic_mass": 170.131, "exact_mass": 170.131, "xlogp": "1.4", "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": "14049-11-7", "fema_number": "4593", "fema_flavor_profile": "Flower", "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@ether@dialkyl ether@alkene@heterocyclic compound", "inchi": "InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3", "volume3d": "140.3", "fooddb_flavor_profile": "floral@flower", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014038", "flavornet_id": 1, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 1, "synthetic": 0, "flavor_profile": "floral@flower"}