{"pubchem_id": 3782139, "iupac_name": "3-methyl-5-propylcyclohex-2-en-1-one", "common_name": "Celery ketone", "smile": "CCCC1CC(=CC(=O)C1)C", "molecular_weight": 152.237, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 179.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 152.12, "exact_mass": 152.12, "xlogp": "2.3", "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": "3720-16-9", "fema_number": "3577", "fema_flavor_profile": "Green", "odor": null, "taste": null, "functional_groups": "carbonyl compound@ketone@alkene", "inchi": "InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3", "volume3d": "132.2", "fooddb_flavor_profile": "green@cumin@fresh@celery", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008538", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 0, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "green@cumin@fresh@celery"}