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CHEBI:197188 - 19-Oxo-all-trans-retinoic acid

Default Structure
ChEBI IDCHEBI:197188
ChEBI Name19-Oxo-all-trans-retinoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC1=C(/C=C/C(C=O)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
InChIInChI=1S/C20H26O3/c1-15(13-19(22)23)7-5-9-17(14-21)10-11-18-16(2)8-6-12-20(18,3)4/h5,7,9-11,13-14H,6,8,12H2,1-4H3,(H,22,23)/b7-5+,11-10+,15-13+,17-9-
InChIKeyXTTUSBQFKZWUJV-JHYVTPCUSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
19-Oxo-all-trans-retinoic acid (CHEBI:197188) is a retinoid (CHEBI:26537)
IUPAC Name 
(2E,4E,6Z,8E)-7-ormyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
17220984ChemSpider
LMPR01090030LIPID MAPS