{"pubchem_id": 7093102, "iupac_name": "(2R,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane", "common_name": "trans-Rose oxide", "smile": "CC1CCOC(C1)C=C(C)C", "molecular_weight": 154.253, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 145.0, "topological_polor_surfacearea": 9.2, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "2.9", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 2, "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": "5258-11-7@876-18-6", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "ether@dialkyl ether@alkene@heterocyclic compound", "inchi": "InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10+/m1/s1", "volume3d": "134.5", "fooddb_flavor_profile": null, "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 1, "fenoroli_and_os": 0, "natural": 0, "unknown_natural": 0, "synthetic": 0, "flavor_profile": null}