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CHEBI:192296 - 4-Glucogallic acid

ChEBI IDCHEBI:192296
ChEBI Name4-Glucogallic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O10
Net Charge0
Average Mass332.261
Monoisotopic Mass332.07435
SMILESO=C(O)c1cc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChIInChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1
InChIKeyYPSNWSNUXIIKHO-YANYRWCTSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
4-Glucogallic acid (CHEBI:192296) is a glycoside (CHEBI:24400)
IUPAC Name 
3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Manual XrefsDatabases
8263651ChemSpider
HMDB0041593HMDB