{"pubchem_id": 8582, "iupac_name": "[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate", "common_name": "Inosinic acid", "smile": "C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O", "molecular_weight": 348.208, "hbd_count": 5, "hba_count": 9, "num_rotatablebonds": 4, "complexity": 555.0, "topological_polor_surfacearea": 176.0, "monoisotopic_mass": 348.047, "exact_mass": 348.047, "xlogp": "-3.7", "charge": 0, "heavy_atom_count": 23, "atom_stereo_count": 4, "defined_atom_stereocenter_count": 4, "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": "131-99-7@30918-54-8", "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@1,2-diol@oxo(het)arene@phosphoric acid derivative@phosphoric acid ester@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "volume3d": "231.5", "fooddb_flavor_profile": "odorless", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB021901", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 0, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "odorless"}