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CHEBI:176459 - Protocatechuic acid 4-O-beta-glucoside

ChEBI IDCHEBI:176459
ChEBI NameProtocatechuic acid 4-O-beta-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O9
Net Charge0
Average Mass316.262
Monoisotopic Mass316.07943
SMILESO=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChIInChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(12(19)20)3-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyHFFREILXLCWCQH-BZNQNGANSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
Protocatechuic acid 4-O-beta-glucoside (CHEBI:176459) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid