24997 <common-name>Epicatechin-(4beta->8)-epicatechin-(4beta->8)-catechin 3''-gallate</common-name> <description nil="true"/> <cas>134958-50-2</cas> <pubchem-id nil="true"/> <chemical-formula>C52H42O22</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-25T21:21:14Z</created-at> <updated-at type="dateTime">2016-11-09T01:17:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C([C@@H]1[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC3=C1C(O)=CC(O)=C3[C@@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C=C1)C1=CC=C(O)C(O)=C1)=C(O)C=C2O</moldb-smiles> <moldb-formula>C52H42O22</moldb-formula> <moldb-inchi>InChI=1S/C52H42O22/c53-21-12-30(61)38-37(13-21)71-47(18-2-5-24(55)28(59)8-18)45(69)42(38)39-32(63)16-33(64)41-43(40-31(62)15-26(57)22-14-36(67)46(72-49(22)40)17-1-4-23(54)27(58)7-17)51(74-52(70)20-10-34(65)44(68)35(66)11-20)48(73-50(39)41)19-3-6-25(56)29(60)9-19/h1-13,15-16,36,42-43,45-48,51,53-69H,14H2/t36-,42+,43-,45+,46+,47+,48+,51+/m0/s1</moldb-inchi> <moldb-inchikey>XLGRDEOFHNGKLV-OKJFZLKJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1018.8767</moldb-average-mass> <moldb-mono-mass type="decimal">1018.216773028</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM023892</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</iupac> </compound>