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CHEBI:168759 - (-)-Epigallocatechin 3-glucuronide

ChEBI IDCHEBI:168759
ChEBI Name(-)-Epigallocatechin 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O13
Net Charge0
Average Mass482.394
Monoisotopic Mass482.10604
SMILESO=C(O)[C@H]1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1
InChIKeyZTOAOZDTXSRHIB-BBGDWMAASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(-)-Epigallocatechin 3-glucuronide (CHEBI:168759) is a flavonoids (CHEBI:72544)
(-)-Epigallocatechin 3-glucuronide (CHEBI:168759) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-[[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041639HMDB
30777584ChemSpider