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CHEBI:177955 - 4-Oxo-9-cis-retinoyl-beta-glucuronide

ChEBI IDCHEBI:177955
ChEBI Name4-Oxo-9-cis-retinoyl-beta-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)O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)C(=O)CC1
InChIInChI=1S/C26H34O9/c1-14(9-11-17-16(3)10-12-18(27)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/h6-9,11,13,20-23,25,29-31H,10,12H2,1-5H3,(H,32,33)/b8-6+,11-9+,14-7-,15-13+/t20-,21+,22-,23-,25-/m1/s1
InChIKeyXEIKLAKHCVSUMR-CAHRZYSUSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) MetaboLights (MTBLS3247)
ChEBI Ontology
Outgoing Relation(s)
4-Oxo-9-cis-retinoyl-beta-glucuronide (CHEBI:177955) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4R,5R,6S)-6-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060122HMDB
30778541ChemSpider