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CHEBI:190851 - 4-Ketoretinoic acid glucuronide

ChEBI IDCHEBI:190851
ChEBI Name4-Ketoretinoic acid glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(C)(C)CCC1=O
InChIInChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-13+
InChIKeySIKFAVWPHMSCBL-FRCNGJHJSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
4-Ketoretinoic acid glucuronide (CHEBI:190851) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0061689HMDB