CHEBI:196622 - 4'-Hydroxyfenoprofen glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-Hydroxyfenoprofen glucuronide
ChEBI ID CHEBI:196622
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=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
InChIKey FPPVBAMKHUAIOP-OYQCQVHHSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](OC2=CC=C(OC=3C=C(C(C)C(O)=O)C=CC3)C=C2)[C@@H](O)C1O)C(O)=O
ChEBI Ontology
Outgoing 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 Xrefs Databases
35031782 ChemSpider
HMDB0060772 HMDB
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