EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193885 - 3-O-Galloyl-1,4-galactarolactone

ChEBI IDCHEBI:193885
ChEBI Name3-O-Galloyl-1,4-galactarolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O11
Net Charge0
Average Mass344.228
Monoisotopic Mass344.03796
SMILESO=C(OC1C(O)C(=O)OC1C(O)C(=O)O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20)
InChIKeyAKRXKEBXBSHTKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
3-O-Galloyl-1,4-galactarolactone (CHEBI:193885) is a gallate ester (CHEBI:37576)
IUPAC Name 
2-hydroxy-2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]acetic acid
Manual XrefsDatabases
35014384ChemSpider
HMDB0037201HMDB