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CHEBI:191598 - Epicatechin-(4beta->8)-gallocatechin

ChEBI IDCHEBI:191598
ChEBI NameEpicatechin-(4beta->8)-gallocatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESOc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2
InChIInChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2
InChIKeyYJMNEZANCYQLJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Epicatechin-(4beta->8)-gallocatechin (CHEBI:191598) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0036303HMDB
35014114ChemSpider