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CHEBI:192289 - 6-Galloylglucose

Default Structure
ChEBI IDCHEBI:192289
ChEBI Name6-Galloylglucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O10
Net Charge0
Average Mass332.261
Monoisotopic Mass332.07435
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)C(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C13H16O10/c14-3-7(17)10(20)12(22)13(23)11(21)8(18)4-1-5(15)9(19)6(16)2-4/h1-3,7,10-13,15-17,19-23H/t7-,10+,11?,12-,13+/m0/s1
InChIKeyNFGQPAQBOQKAOR-ZEKXRDCQSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
6-Galloylglucose (CHEBI:192289) is a heptose (CHEBI:33905)
IUPAC Name 
(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanal
Manual XrefsDatabases
67024319ChemSpider