CHEBI:200344 - Ambiguine Q nitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ambiguine Q nitrile
ChEBI ID CHEBI:200344
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28N2
Net Charge 0
Average Mass 368.524
Monoisotopic Mass 368.22525
InChI InChI=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
InChIKey WBJRBYKJNBYZBT-QLXKLKPCSA-N
SMILES N#CC1=CC2=C3[C@@H](C(C)(C)C=4C=5C3=C(C1(C)C)NC5C=CC4)CC[C@@]2(C=C)C
Metabolite of Species Details
Fischerella ambigua UTEX 1903 (NCBI:txid230521) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78436608 ChemSpider
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