{"pubchem_id": 12810, "iupac_name": "6-pentyloxan-2-one", "common_name": "Delta-Decalactone", "smile": "CCCCCC1CCCC(=O)O1", "molecular_weight": 170.252, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 143.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 170.131, "exact_mass": 170.131, "xlogp": "2.5", "charge": 0, "heavy_atom_count": 12, "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": "705-86-2", "fema_number": "2361", "fema_flavor_profile": "Coconut", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@lactone@heterocyclic compound", "inchi": "InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3", "volume3d": "143.9", "fooddb_flavor_profile": "peach@butter@coconut@apricot@fresh@oily@creamy@plum@sweet@fruity@dairy", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016109", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "peach@butter@coconut@apricot@fresh@oily@creamy@plum@sweet@fruity@dairy"}