{"chemistry_flags":["ionization-review","low-solubility-review"],"connectivity_smiles":"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C","descriptors":{"heavy_atom_count":33,"hydrogen_bond_acceptor_count":3,"hydrogen_bond_donor_count":2,"rotatable_bond_count":1,"tpsa":57.5},"evidence_class":"chemical-identity","exact_mass":"456.36034539","formal_charge":0,"identity_resolution":{"attempt_state":"reused","expected_pubchem_cid":10494,"lookup_mode":"pinned-cid","lookup_value":10494,"source":"PubChem"},"identity_state":"resolved","inchi":"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1","inchikey":"MIJYXULNPSFWEK-GTOFXWBISA-N","known_interaction_refs":[],"known_target_ids":[],"molecular_class":"pentacyclic-triterpenoid","molecular_formula":"C30H48O3","molecular_weight":"456.7","molecule_id":"NP020","monoisotopic_mass":"456.36034539","name":"Oleanolic acid","panel":"natural-product","preparation_state":"unprepared-source-record","pubchem_cid":10494,"pubchem_title":"Oleanolic Acid","query_name":"oleanolic acid","screening_eligibility":"identity-resolved-needs-preparation","source_class":"natural-product-collection","source_refs":[{"claim":"chemical-identity","source":"PubChem","url":"https://pubchem.ncbi.nlm.nih.gov/compound/10494"}],"source_smiles":"C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O","source_snapshot":{"bytes":938,"sha256":"437ad6208c383016e9cf5572e7937d69790291ce5cf3040ec749bd4f8dc233ca"}}