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CHEBI:64681 - phenol O-(β-D-glucuronide)

ChEBI IDCHEBI:64681
ChEBI Namephenol O-(β-D-glucuronide)
Stars
ASCII Namephenol O-(beta-D-glucuronide)
DefinitionA β-D-glucosiduronic acid that is the glucuronide conjugate of phenol.
Last Modified28 May 2012
SubmitterBijay
DownloadsMolfile
FormulaC12H14O7
Net Charge0
Average Mass270.237
Monoisotopic Mass270.07395
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyWVHAUDNUGBNUDZ-GOVZDWNOSA-N
ChEBI Ontology
Outgoing Relation(s)
phenol O-(β-D-glucuronide) (CHEBI:64681) has functional parent phenol (CHEBI:15882)
phenol O-(β-D-glucuronide) (CHEBI:64681) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
phenyl β-D-glucopyranosiduronic acid
Synonyms  Source
phenyl β-glucuronideChEBI
phenyl glucuronideChEBI
phenyl β-D-glucuronideChEBI
Phenyl beta-D-glucopyranosiduronic acidChemIDplus
phenyl β-D-glucosiduronic acidChEBI
Registry NumbersSources
Reaxys:89117Reaxys
CAS:17685-05-1ChemIDplus
Citations