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CHEBI:196622 - 4'-Hydroxyfenoprofen glucuronide

ChEBI IDCHEBI:196622
ChEBI Name4'-Hydroxyfenoprofen glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESCC(C(=O)O)c1cccc(Oc2ccc(O[C@H]3[C@H](O)[C@@H](C(=O)O)OC(O)[C@@H]3O)cc2)c1
InChIInChI=1S/C21H22O10/c1-10(19(24)25)11-3-2-4-14(9-11)29-12-5-7-13(8-6-12)30-17-15(22)18(20(26)27)31-21(28)16(17)23/h2-10,15-18,21-23,28H,1H3,(H,24,25)(H,26,27)/t10?,15-,16+,17-,18-,21?/m0/s1
InChIKeyFPPVBAMKHUAIOP-OYQCQVHHSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-Hydroxyfenoprofen glucuronide (CHEBI:196622) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(2S,3S,4S,5R)-4-[4-[3-(1-carboxyethyl)phenoxy]phenoxy]-3,5,6-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
35031782ChemSpider
HMDB0060772HMDB