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CHEBI:211622 - Ambiguine L isonitrile

ChEBI IDCHEBI:211622
ChEBI NameAmbiguine L isonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N2O
Net Charge0
Average Mass386.539
Monoisotopic Mass386.23581
SMILES[C-]#[N+][C@]12C=CC(C)(C)c3nc4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C
InChIInChI=1S/C26H30N2O/c1-8-24(6)13-12-18-23(4,5)16-10-9-11-17-19(16)20-21(28-17)22(2,3)14-15-25(24,27-7)26(18,20)29/h8-11,14-15,18,28-29H,1,12-13H2,2-6H3/t18-,24+,25+,26-/m1/s1
InChIKeyGCEYOMBDTZKZAO-PKNULQPYSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - PubMed (19371071)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine L isonitrile (CHEBI:211622) is a indoles (CHEBI:24828)
IUPAC Name 
(11S,12R,15R,16R)-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
24629294ChemSpider