{"pubchem_id": 75427, "iupac_name": "(3R)-3,7-dimethyloct-6-enal", "common_name": "(R)-(+)-Citronellal", "smile": "CC(CCC=C(C)C)CC=O", "molecular_weight": 154.253, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 5, "complexity": 132.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "3.0", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "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": "2385-77-5", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "carbonyl compound@aldehyde@alkene", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1", "volume3d": "140.5", "fooddb_flavor_profile": "citrus@herbal@fresh", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB014582", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "citrus@herbal@fresh"}