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CHEBI:203407 - Ambiguine O isonitrile

ChEBI IDCHEBI:203407
ChEBI NameAmbiguine O isonitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29ClN2O3
Net Charge0
Average Mass452.982
Monoisotopic Mass452.18667
SMILES[C-]#[N+][C@]12[C@H](O)C(=O)C(C)(C)c3nc4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C
InChIInChI=1S/C26H29ClN2O3/c1-8-24(6)16(27)12-15-22(2,3)13-10-9-11-14-17(13)18-19(29-14)23(4,5)20(30)21(31)26(24,28-7)25(15,18)32/h8-11,15-16,21,29,31-32H,1,12H2,2-6H3/t15-,16-,21-,24+,25-,26+/m1/s1
InChIKeyCQNFEWJQEPWSEN-SNUJMJNFSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - PubMed (19371071)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine O isonitrile (CHEBI:203407) is a indoles (CHEBI:24828)
IUPAC Name 
(10S,11R,12R,13R,15R,16R)-13-chloro-12-ethenyl-10,16-dihydroxy-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)-tetraen-9-one
Manual XrefsDatabases
24628183ChemSpider