{"pubchem_id": 222994, "iupac_name": "3-methyl-5-propan-2-ylcyclohex-2-en-1-one", "common_name": "Hexetone", "smile": "CC1=CC(=O)CC(C1)C(C)C", "molecular_weight": 152.237, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 189.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 152.12, "exact_mass": 152.12, "xlogp": "2.0", "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": "535-86-4@28587-71-5", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C10H16O/c1-7(2)9-4-8(3)5-10(11)6-9/h5,7,9H,4,6H2,1-3H3", "volume3d": "131.5", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "588", "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 0, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bitter"}