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CHEBI:186526 - ent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate

ChEBI IDCHEBI:186526
ChEBI Nameent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H30O16
Net Charge0
Average Mass730.631
Monoisotopic Mass730.15338
SMILESO=C(OC1C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2
InChIKeyBXWABJPTCUDBMM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate (CHEBI:186526) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
35014493ChemSpider
HMDB0037965HMDB