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CHEBI:191928 - Epigallocatechin 3-O-(3,5-di-O-methylgallate)

ChEBI IDCHEBI:191928
ChEBI NameEpigallocatechin 3-O-(3,5-di-O-methylgallate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O11
Net Charge0
Average Mass486.429
Monoisotopic Mass486.11621
SMILESCOc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc(OC)c1O
InChIInChI=1S/C24H22O11/c1-32-18-5-11(6-19(33-2)22(18)30)24(31)35-20-9-13-14(26)7-12(25)8-17(13)34-23(20)10-3-15(27)21(29)16(28)4-10/h3-8,20,23,25-30H,9H2,1-2H3/t20-,23-/m1/s1
InChIKeyQAXISZJBSORHRN-NFBKMPQASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
ChEBI Ontology
Outgoing Relation(s)
Epigallocatechin 3-O-(3,5-di-O-methylgallate) (CHEBI:191928) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-hydroxy-3,5-dimethoxybenzoate
Manual XrefsDatabases
8088927ChemSpider
LMPK12020122LIPID MAPS