{"aliases":["EGCG"],"chemistry_flags":["stereochemistry-review","oxidation-review","aggregation-review","assay-interference-review"],"connectivity_smiles":"C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O","descriptors":{"heavy_atom_count":33,"hydrogen_bond_acceptor_count":11,"hydrogen_bond_donor_count":8,"rotatable_bond_count":4,"tpsa":197},"evidence_class":"chemical-identity","exact_mass":"458.08491139","formal_charge":0,"identity_resolution":{"attempt_state":"reused","expected_pubchem_cid":65064,"lookup_mode":"pinned-cid","lookup_value":65064,"source":"PubChem"},"identity_state":"resolved","inchi":"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","known_interaction_refs":[],"known_target_ids":[],"molecular_class":"catechin","molecular_formula":"C22H18O11","molecular_weight":"458.4","molecule_id":"NP011","monoisotopic_mass":"458.08491139","name":"(−)-Epigallocatechin-3-gallate","panel":"natural-product","preparation_state":"unprepared-source-record","pubchem_cid":65064,"pubchem_title":"Epigallocatechin Gallate","query_name":"epigallocatechin gallate","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/65064"}],"source_smiles":"C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O","source_snapshot":{"bytes":902,"sha256":"56235594667acc8ddb91c16aab42256f2dadcf059913a24c9d471071238e2de8"}}