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CHEBI:182240 - 2,3-Dihydroxy-3-methylbutanoic acid 4-(beta-D-glucopyranosyloxy)benzyl ester

ChEBI IDCHEBI:182240
ChEBI Name2,3-Dihydroxy-3-methylbutanoic acid 4-(beta-D-glucopyranosyloxy)benzyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O10
Net Charge0
Average Mass402.396
Monoisotopic Mass402.15260
SMILESCC(C)(O)C(O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C18H26O10/c1-18(2,25)15(23)16(24)26-8-9-3-5-10(6-4-9)27-17-14(22)13(21)12(20)11(7-19)28-17/h3-6,11-15,17,19-23,25H,7-8H2,1-2H3/t11-,12-,13+,14-,15?,17-/m1/s1
InChIKeyCHRIGVPNNGMWMG-IMBWSVPGSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3-Dihydroxy-3-methylbutanoic acid 4-(beta-D-glucopyranosyloxy)benzyl ester (CHEBI:182240) is a glycoside (CHEBI:24400)
IUPAC Name 
[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-3-methylbutanoate
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