{"pubchem_id": 46781992, "iupac_name": "(4S,5S)-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol", "common_name": "Isomaltose", "smile": "C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O", "molecular_weight": 342.297, "hbd_count": 8, "hba_count": 11, "num_rotatablebonds": 4, "complexity": 382.0, "topological_polor_surfacearea": 190.0, "monoisotopic_mass": 342.116, "exact_mass": 342.116, "xlogp": "-4.7", "charge": 0, "heavy_atom_count": 23, "atom_stereo_count": 10, "defined_atom_stereocenter_count": 5, "undefined_atom_stereocenter_count": 5, "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": "499-40-1", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hemiacetal@acetal@hydroxy compound@alcohol@primary alcohol@secondary alcohol@1,2-diol@heterocyclic compound", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8+,9?,10?,11?,12+/m1/s1", "volume3d": "230.5", "fooddb_flavor_profile": null, "super_sweet": "Sweet-like", "bitter": 0, "supersweetdb_id": "20693", "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 0, "unknown_natural": 0, "synthetic": 1, "flavor_profile": "sweet-like"}