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CHEBI:50175 - 2Z,4Z-acitretin

Default Structure
ChEBI IDCHEBI:50175
ChEBI Name2Z,4Z-acitretin
Stars
ASCII Name2Z,4Z-acitretin
Last Modified23 June 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H26O3
Net Charge0
Average Mass326.436
Monoisotopic Mass326.18819
SMILESCOc1cc(C)c(/C=C/C(C)=C/C=C\C(C)=C/C(=O)O)c(C)c1C
InChIInChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7-,11-10+,14-8+,15-12-
InChIKeyIHUNBGSDBOWDMA-FZCLVFSMSA-N
ChEBI Ontology
Outgoing Relation(s)
2Z,4Z-acitretin (CHEBI:50175) is a acitretin (CHEBI:50172)
IUPAC Name 
(2Z,4Z,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Registry NumbersSources
Beilstein:3037157Beilstein