EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89612 - Pyrogallol-2-O-glucuronide

ChEBI IDCHEBI:89612
ChEBI NamePyrogallol-2-O-glucuronide
Stars
DownloadsMolfile
FormulaC12H14O9
Net Charge0
Average Mass302.235
Monoisotopic Mass302.06378
SMILESO=C(O)[C@H]1O[C@@H](Oc2c(O)cccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1
InChIKeySOHXEAWMMVSJFL-COGRHJPHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
Pyrogallol-2-O-glucuronide (CHEBI:89612) is a glucosiduronic acid (CHEBI:24302)
Synonym  Source
(2S,3S,4S,5R,6S)-6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0060017HMDB
Citations