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CHEBI:197204 - 4'-O-Methylepicatechin 7-O-glucuronide

ChEBI IDCHEBI:197204
ChEBI Name4'-O-Methylepicatechin 7-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O12
Net Charge0
Average Mass480.422
Monoisotopic Mass480.12678
SMILESCOc1ccc([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/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(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
InChIKeyCJPIUMOCTBARLM-ZRRVXMDUSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
4'-O-Methylepicatechin 7-O-glucuronide (CHEBI:197204) is a flavonoids (CHEBI:72544)
4'-O-Methylepicatechin 7-O-glucuronide (CHEBI:197204) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
128430698ChemSpider
HMDB0029183HMDB