{"chemistry_flags":["low-solubility-review","assay-interference-review"],"connectivity_smiles":"C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O","descriptors":{"heavy_atom_count":22,"hydrogen_bond_acceptor_count":8,"hydrogen_bond_donor_count":4,"rotatable_bond_count":0,"tpsa":134},"evidence_class":"chemical-identity","exact_mass":"302.00626715","formal_charge":0,"identity_resolution":{"attempt_state":"reused","expected_pubchem_cid":5281855,"lookup_mode":"pinned-cid","lookup_value":5281855,"source":"PubChem"},"identity_state":"resolved","inchi":"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H","inchikey":"AFSDNFLWKVMVRB-UHFFFAOYSA-N","known_interaction_refs":[],"known_target_ids":[],"molecular_class":"polyphenol","molecular_formula":"C14H6O8","molecular_weight":"302.19","molecule_id":"NP012","monoisotopic_mass":"302.00626715","name":"Ellagic acid","panel":"natural-product","preparation_state":"unprepared-source-record","pubchem_cid":5281855,"pubchem_title":"Ellagic Acid","query_name":"ellagic 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/5281855"}],"source_smiles":"C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O","source_snapshot":{"bytes":774,"sha256":"35f3948bd7d71583c81f63cab7a0dbe56dd390806704c13eafc8b16297f54e38"}}