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CHEBI:192207 - Etodolac acyl glucuronide

ChEBI IDCHEBI:192207
ChEBI NameEtodolac acyl glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO9
Net Charge0
Average Mass463.483
Monoisotopic Mass463.18423
SMILESCCc1cccc2c3c(nc12)C(CC)(CC(=O)O[C@@H]1OC(C(=O)O)[C@@H](O)C(O)C1O)OCC3
InChIInChI=1S/C23H29NO9/c1-3-11-6-5-7-12-13-8-9-31-23(4-2,20(13)24-15(11)12)10-14(25)32-22-18(28)16(26)17(27)19(33-22)21(29)30/h5-7,16-19,22,24,26-28H,3-4,8-10H2,1-2H3,(H,29,30)/t16?,17-,18?,19?,22+,23?/m0/s1
InChIKeyXJZNMEMKZBFUIZ-VWOODADMSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Etodolac acyl glucuronide (CHEBI:192207) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,6S)-6-[2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid