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CHEBI:178163 - Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside

ChEBI IDCHEBI:178163
ChEBI NameMethyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26O18
Net Charge0
Average Mass650.498
Monoisotopic Mass650.11191
SMILESCOC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H26O18/c1-42-28-24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)22(38)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3
InChIKeyITRFLIAWJCCQTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside (CHEBI:178163) is a gallate ester (CHEBI:37576)
IUPAC Name 
[3-hydroxy-6-methoxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039184HMDB