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CHEBI:176007 - Naproxen O-glucuronide

ChEBI IDCHEBI:176007
ChEBI NameNaproxen O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESCOc1ccc2cc([C@H](C)C(=O)OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1
InChIInChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20?/m0/s1
InChIKeyXRHIELLXTVJOKM-WDZACEAPSA-N
ChEBI Ontology
Outgoing Relation(s)
Naproxen O-glucuronide (CHEBI:176007) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060923HMDB
35031819ChemSpider