CHEBI:169324 - Flurbiprofen 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 Flurbiprofen glucuronide
ChEBI ID CHEBI:169324
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21FO8
Net Charge 0
Average Mass 420.389
Monoisotopic Mass 420.12205
InChI InChI=1S/C21H21FO8/c1-10(12-7-8-13(14(22)9-12)11-5-3-2-4-6-11)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h2-10,15-18,21,23-25H,1H3,(H,26,27)/t10?,15-,16-,17+,18-,21-/m0/s1
InChIKey PLPQBSOCUVSKTP-DHOLTFTNSA-N
SMILES FC=1C=C(C(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=O)C)C=CC1C3=CC=CC=C3
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Flurbiprofen glucuronide (CHEBI:169324) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[2-(3-luoro-4-phenylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
62917133 ChemSpider
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