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CHEBI:186130 - 2-O-Galloyl-1,4-galactarolactone

ChEBI IDCHEBI:186130
ChEBI Name2-O-Galloyl-1,4-galactarolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O11
Net Charge0
Average Mass344.228
Monoisotopic Mass344.03796
SMILESO=C(OC1C(=O)OC(C(O)C(=O)O)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10-7(17)9(23-13(10)22)8(18)11(19)20/h1-2,7-10,14-18H,(H,19,20)
InChIKeyGGQABIPBZKETPQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-O-Galloyl-1,4-galactarolactone (CHEBI:186130) is a gallate ester (CHEBI:37576)
IUPAC Name 
2-hydroxy-2-[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]acetic acid
Manual XrefsDatabases
HMDB0037199HMDB
35014382ChemSpider