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CHEBI:212965 - Mirabilene E isonitrile

Default Structure
ChEBI IDCHEBI:212965
ChEBI NameMirabilene E isonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H39NO4
Net Charge0
Average Mass405.579
Monoisotopic Mass405.28791
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)C(=C)/C=C(/C)C/C=C(\C)C#N)OC)OC)OC
InChIInChI=1S/C24H39NO4/c1-9-10-21(26-5)14-22(27-6)15-23(28-7)16-24(29-8)20(4)13-18(2)11-12-19(3)17-25/h9,12-13,21-24H,1,4,10-11,14-16H2,2-3,5-8H3/b18-13-,19-12+/t21-,22-,23-,24-/m0/s1
InChIKeyIBWHSOUJBPQKSP-GZFUUHCPSA-N
Species of MetaboliteComponentSourceComments
Scytonema (ncbitaxon:1203) - DOI (10.1021/jo00301a041)
ChEBI Ontology
Outgoing Relation(s)
Mirabilene E isonitrile (CHEBI:212965) is a nitrile (CHEBI:18379)
IUPAC Name 
(2E,5Z,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-2,5-dimethyl-7-methylideneheptadeca-2,5,16-trienenitrile