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CHEBI:198461 - Ambiguine K isonitrile

ChEBI IDCHEBI:198461
ChEBI NameAmbiguine K isonitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29ClN2O
Net Charge0
Average Mass420.984
Monoisotopic Mass420.19684
SMILES[C-]#[N+][C@]12C=CC(C)(C)c3nc4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C
InChIInChI=1S/C26H29ClN2O/c1-8-24(6)18(27)14-17-23(4,5)15-10-9-11-16-19(15)20-21(29-16)22(2,3)12-13-25(24,28-7)26(17,20)30/h8-13,17-18,29-30H,1,14H2,2-6H3/t17-,18-,24+,25+,26-/m1/s1
InChIKeyRSUTYZFOFIAHFY-OWINPNOJSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - PubMed (19371071)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine K isonitrile (CHEBI:198461) is a indoles (CHEBI:24828)
IUPAC Name 
(11S,12R,13R,15R,16R)-13-chloro-12-ethenyl-11-isocyano-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17),9-pentaen-16-ol
Manual XrefsDatabases
24620572ChemSpider