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CHEBI:177249 - Retinoyl b-glucuronide

ChEBI IDCHEBI:177249
ChEBI NameRetinoyl b-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O8
Net Charge0
Average Mass476.566
Monoisotopic Mass476.24102
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)
InChIKeyMTGFYEHKPMOVNE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) Article Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Retinoyl b-glucuronide (CHEBI:177249) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
6-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
544857ChemSpider