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CHEBI:191741 - (-)-Epigallocatechin 7-glucuronide

ChEBI IDCHEBI:191741
ChEBI Name(-)-Epigallocatechin 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O13
Net Charge0
Average Mass482.394
Monoisotopic Mass482.10604
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2cc(O)c(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H22O13/c22-9-3-7(32-21-17(29)15(27)16(28)19(34-21)20(30)31)4-13-8(9)5-12(25)18(33-13)6-1-10(23)14(26)11(24)2-6/h1-4,12,15-19,21-29H,5H2,(H,30,31)/t12-,15+,16+,17-,18-,19+,21-/m1/s1
InChIKeyDMDNCGKEYCRXOR-CVPXIJHMSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
(-)-Epigallocatechin 7-glucuronide (CHEBI:191741) is a flavonoids (CHEBI:72544)
(-)-Epigallocatechin 7-glucuronide (CHEBI:191741) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(2R,3R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30777582ChemSpider
HMDB0041640HMDB
Registry NumbersSources
CAS:569670-42-4ChemIDplus