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CHEBI:184406 - INDOMETHACIN glucuronide

ChEBI IDCHEBI:184406
ChEBI NameINDOMETHACIN glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24ClNO10
Net Charge0
Average Mass533.917
Monoisotopic Mass533.10887
SMILESCOc1ccc2c(c1)c(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClNO10/c1-11-15(10-18(28)36-25-21(31)19(29)20(30)22(37-25)24(33)34)16-9-14(35-2)7-8-17(16)27(11)23(32)12-3-5-13(26)6-4-12/h3-9,19-22,25,29-31H,10H2,1-2H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1
InChIKeyQCBWEVBGELGABM-CZLVRFMKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
INDOMETHACIN glucuronide (CHEBI:184406) is a N-acylindole (CHEBI:75884)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060922HMDB
26324548ChemSpider
Registry NumbersSources
CAS:75523-11-4ChemIDplus