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CHEBI:187164 - 11-cis- and 12s-trans-fixed retinal

ChEBI IDCHEBI:187164
ChEBI Name11-cis- and 12s-trans-fixed retinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O
Net Charge0
Average Mass282.427
Monoisotopic Mass282.19837
SMILESCC1=C(/C=C/C(C)=C2/C=C/C(=C/C=O)C2)C(C)(C)CCC1
InChIInChI=1S/C20H26O/c1-15(18-9-8-17(14-18)11-13-21)7-10-19-16(2)6-5-12-20(19,3)4/h7-11,13H,5-6,12,14H2,1-4H3/b10-7+,17-11-,18-15-
InChIKeyPHPBVFJVLKEZBG-DTOWMSEUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
11-cis- and 12s-trans-fixed retinal (CHEBI:187164) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclopent-2-en-1-ylidene]acetaldehyde
Manual XrefsDatabases
17220991ChemSpider
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