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CHEBI:172714 - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide

ChEBI IDCHEBI:172714
ChEBI Name4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O12
Net Charge0
Average Mass494.449
Monoisotopic Mass494.14243
SMILESCOCc1ccc(C2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1
InChIKeyFSEFRWXTJLHUBQ-QHZMYPFFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide (CHEBI:172714) is a flavonoids (CHEBI:72544)
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide (CHEBI:172714) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0029180HMDB