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CHEBI:191491 - 3'-O-Methyl-(-)-epicatechin 7-O-glucuronide

ChEBI IDCHEBI:191491
ChEBI Name3'-O-Methyl-(-)-epicatechin 7-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O12
Net Charge0
Average Mass480.422
Monoisotopic Mass480.12678
SMILESCOc1cc([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)ccc1O
InChIInChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1
InChIKeyMZJSKSYVZZIYPF-ZRRVXMDUSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
3'-O-Methyl-(-)-epicatechin 7-O-glucuronide (CHEBI:191491) is a flavonoids (CHEBI:72544)
3'-O-Methyl-(-)-epicatechin 7-O-glucuronide (CHEBI:191491) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30777591ChemSpider
HMDB0041659HMDB