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CHEBI:224632 - Ambiguine isonitrile F

Default Structure
ChEBI IDCHEBI:224632
ChEBI NameAmbiguine isonitrile F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31ClN2O3
Net Charge0
Average Mass454.998
Monoisotopic Mass454.20232
SMILES[C-]#[N+][C@]12[C@@H](O)[C@H](O)C(C)(C)c3nc4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C
InChIInChI=1S/C26H31ClN2O3/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/h8-11,15-16,20-21,29-32H,1,12H2,2-6H3/t15-,16-,20+,21+,24+,25-,26+/m1/s1
InChIKeyUZVWRTZJFCDKBF-OODLVNIASA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - DOI (10.1021/jo00029a014)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine isonitrile F (CHEBI:224632) is a indoles (CHEBI:24828)
IUPAC Name 
(9R,10R,11R,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)-tetraene-9,10,16-triol
Manual XrefsDatabases
10249748ChemSpider