{"pubchem_id": 61294, "iupac_name": "octyl octanoate", "common_name": "Octyl octanoate", "smile": "CCCCCCCCOC(=O)CCCCCCC", "molecular_weight": 256.43, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 14, "complexity": 178.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 256.24, "exact_mass": 256.24, "xlogp": "6.5", "charge": 0, "heavy_atom_count": 18, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "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": "2306-88-9", "fema_number": "2811", "fema_flavor_profile": "Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3", "volume3d": "228.2", "fooddb_flavor_profile": "oily@coconut@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB011175", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 0, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oily@coconut@fruity"}