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CHEBI:191574 - 4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)

ChEBI IDCHEBI:191574
ChEBI Name4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O11
Net Charge0
Average Mass486.429
Monoisotopic Mass486.11621
SMILESCOc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(OC)c(O)c2)cc1O
InChIInChI=1S/C24H22O11/c1-32-22-15(27)3-10(4-16(22)28)21-20(9-13-14(26)7-12(25)8-19(13)34-21)35-24(31)11-5-17(29)23(33-2)18(30)6-11/h3-8,20-21,25-30H,9H2,1-2H3/t20-,21-/m1/s1
InChIKeyHFWSXNDMKGHKRD-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate) (CHEBI:191574) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate
Manual XrefsDatabases
HMDB0041668HMDB
28477210ChemSpider
Registry NumbersSources
CAS:298700-58-0ChemIDplus