EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229898 - dimethyl 2-galloylgalactarate

ChEBI IDCHEBI:229898
ChEBI Namedimethyl 2-galloylgalactarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O12
Net Charge0
Average Mass390.297
Monoisotopic Mass390.07983
SMILESCOC(=O)C(O)C(O)C(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC
InChIInChI=1S/C15H18O12/c1-25-14(23)11(21)9(19)10(20)12(15(24)26-2)27-13(22)5-3-6(16)8(18)7(17)4-5/h3-4,9-12,16-21H,1-2H3
InChIKeyFUZPULBJXZQHRK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
dimethyl 2-galloylgalactarate (CHEBI:229898) is a carbohydrate acid derivative (CHEBI:63436)
IUPAC Name 
dimethyl 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyhexanedioate
Manual XrefsDatabases
HMDB0036935HMDB
35014325ChemSpider