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CHEBI:200278 - Ambiguine N isonitrile

ChEBI IDCHEBI:200278
ChEBI NameAmbiguine N isonitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N2O2
Net Charge0
Average Mass404.554
Monoisotopic Mass404.24638
SMILES[C-]#[N+][C@]12C[C@@H](O)C(C)(C)c3nc4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C
InChIInChI=1S/C26H32N2O2/c1-8-24(6)13-12-17-22(2,3)15-10-9-11-16-19(15)20-21(28-16)23(4,5)18(29)14-25(24,27-7)26(17,20)30/h8-11,17-18,28-30H,1,12-14H2,2-6H3/t17-,18-,24+,25+,26-/m1/s1
InChIKeyKAXIDSYNDHUROH-OWINPNOJSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - PubMed (19371071)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine N isonitrile (CHEBI:200278) is a indoles (CHEBI:24828)
IUPAC Name 
(9R,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)-tetraene-9,16-diol
Manual XrefsDatabases
24628857ChemSpider