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CHEBI:191616 - 4'-Methyl-(-)-epigallocatechin 7-glucuronide

ChEBI IDCHEBI:191616
ChEBI Name4'-Methyl-(-)-epigallocatechin 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O13
Net Charge0
Average Mass496.421
Monoisotopic Mass496.12169
SMILESCOc1c(O)cc([C@H]2Oc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C[C@H]2O)cc1O
InChIInChI=1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1
InChIKeyDIBOSYWBDWWWDM-HAQXZMAGSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
4'-Methyl-(-)-epigallocatechin 7-glucuronide (CHEBI:191616) is a flavonoids (CHEBI:72544)
4'-Methyl-(-)-epigallocatechin 7-glucuronide (CHEBI:191616) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30777595ChemSpider
HMDB0041676HMDB
Registry NumbersSources
CAS:1038922-74-5ChemIDplus