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CHEBI:200344 - Ambiguine Q nitrile

ChEBI IDCHEBI:200344
ChEBI NameAmbiguine Q nitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N2
Net Charge0
Average Mass368.524
Monoisotopic Mass368.22525
SMILESC=C[C@@]1(C)CC[C@H]2C3=C1C=C(C#N)C(C)(C)c1nc4cccc(c4c13)C2(C)C
InChIInChI=1S/C26H28N2/c1-7-26(6)12-11-17-20-18(26)13-15(14-27)24(2,3)23-22(20)21-16(25(17,4)5)9-8-10-19(21)28-23/h7-10,13,17,28H,1,11-12H2,2-6H3/t17-,26-/m0/s1
InChIKeyWBJRBYKJNBYZBT-QLXKLKPCSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - PubMed (20965528)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine Q nitrile (CHEBI:200344) is a indoles (CHEBI:24828)
IUPAC Name 
(12R,15R)-12-ethenyl-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17),9,11(16)-hexaene-9-carbonitrile
Manual XrefsDatabases
78436608ChemSpider