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CHEBI:133689 - catechol β-D-glucuronide

Default Structure
ChEBI IDCHEBI:133689
ChEBI Namecatechol β-D-glucuronide
Stars
ASCII Namecatechol beta-D-glucuronide
DefinitionA glucosiduronic acid that is β-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 2-hydroxyphenyl group.
Last Modified7 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC12H14O8
Net Charge0
Average Mass286.236
Monoisotopic Mass286.06887
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyICPYZFZFSLTYID-GOVZDWNOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (1687010)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
catechol β-D-glucuronide (CHEBI:133689) has functional parent catechol (CHEBI:18135)
catechol β-D-glucuronide (CHEBI:133689) has role mouse metabolite (CHEBI:75771)
catechol β-D-glucuronide (CHEBI:133689) is a glucosiduronic acid (CHEBI:24302)
catechol β-D-glucuronide (CHEBI:133689) is a phenols (CHEBI:33853)
catechol β-D-glucuronide (CHEBI:133689) is conjugate acid of catechol β-D-glucuronide(1−) (CHEBI:133691)
Incoming Relation(s)
catechol β-D-glucuronide(1−) (CHEBI:133691) is conjugate base of catechol β-D-glucuronide (CHEBI:133689)
IUPAC Name 
2-hydroxyphenyl β-D-glucopyranosiduronic acid
Synonyms  Source
2-Hydroxyphenyl-beta-D-glucopyranosiduronic acidChemIDplus
2-hydroxyphenyl β-D-glucosiduronic acidChEBI
2-hydroxyphenyl β-D-glucuronideChEBI
catechol glucuronideChEBI
catechol β-glucuronideChEBI
Diphenol glucuronideHMDB
Manual XrefsDatabases
HMDB0059998HMDB
Registry NumbersSources
Reaxys:28151899Reaxys
CAS:28623-57-6ChemIDplus
Citations