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CHEBI:197184 - 4-Oxo-13-cis-retinoate

Default Structure
ChEBI IDCHEBI:197184
ChEBI Name4-Oxo-13-cis-retinoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)C(=O)CC1
InChIInChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/b8-6+,11-9+,14-7+,15-13-
InChIKeyYOFBBAJVETYSCH-IWRFDTMXSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
4-Oxo-13-cis-retinoate (CHEBI:197184) is a retinoid (CHEBI:26537)
IUPAC Name 
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
8171361ChemSpider
HMDB0012789HMDB