{"chemistry_flags":["ionization-review","low-solubility-review"],"connectivity_smiles":"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O","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":64945,"lookup_mode":"pinned-cid","lookup_value":64945,"source":"PubChem"},"identity_state":"resolved","inchi":"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1","inchikey":"WCGUUGGRBIKTOS-GPOJBZKASA-N","known_interaction_refs":[],"known_target_ids":[],"molecular_class":"pentacyclic-triterpenoid","molecular_formula":"C30H48O3","molecular_weight":"456.7","molecule_id":"NP019","monoisotopic_mass":"456.36034539","name":"Ursolic acid","panel":"natural-product","preparation_state":"unprepared-source-record","pubchem_cid":64945,"pubchem_title":"(+)-Ursolic Acid","query_name":"ursolic 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/64945"}],"source_smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","source_snapshot":{"bytes":960,"sha256":"6ac5c5e92489e3cb177af407250b2e413b1ab05fa88af3c53d6ab12520943432"}}