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CHEBI:172852 - Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin

Default Structure
ChEBI IDCHEBI:172852
ChEBI NameGallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H38O21
Net Charge0
Average Mass914.778
Monoisotopic Mass914.19056
SMILES[H][C@@]1(c2c(O)cc(O)c3c2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)c([C@]3([H])c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
InChIInChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1
InChIKeyNVTLDVSBUJGIAD-QHBXHTPSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin (CHEBI:172852) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
(2R,3S,4R)-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
30777487ChemSpider
HMDB0040378HMDB