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CHEBI:189946 - Fenofibryl glucuronide

ChEBI IDCHEBI:189946
ChEBI NameFenofibryl glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23ClO10
Net Charge0
Average Mass494.880
Monoisotopic Mass494.09797
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H23ClO10/c1-23(2,22(31)33-21-18(28)16(26)17(27)19(32-21)20(29)30)34-14-9-5-12(6-10-14)15(25)11-3-7-13(24)8-4-11/h3-10,16-19,21,26-28H,1-2H3,(H,29,30)/t16-,17-,18+,19-,21-/m0/s1
InChIKeyBHOJZVSZYFTIOZ-UNJWAJPSSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Fenofibryl glucuronide (CHEBI:189946) is a benzophenones (CHEBI:22726)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
8204295ChemSpider
Registry NumbersSources
CAS:60318-63-0ChemIDplus