EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203453 - Ambiguine G nitrile

ChEBI IDCHEBI:203453
ChEBI NameAmbiguine G nitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27ClN2
Net Charge0
Average Mass402.969
Monoisotopic Mass402.18628
SMILESC=C[C@]1(C)C2=C3c4c(nc5cccc(c45)C(C)(C)[C@H]3C[C@H]1Cl)C(C)(C)C(C#N)=C2
InChIInChI=1S/C26H27ClN2/c1-7-26(6)17-11-14(13-28)24(2,3)23-22-20(17)16(12-19(26)27)25(4,5)15-9-8-10-18(29-23)21(15)22/h7-11,16,19,29H,1,12H2,2-6H3/t16-,19+,26+/m0/s1
InChIKeyHFHQOKOLRORURO-KGVVXCLESA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - PubMed (9784177)
ChEBI Ontology
Outgoing Relation(s)
Ambiguine G nitrile (CHEBI:203453) is a indoles (CHEBI:24828)
IUPAC Name 
(12R,13R,15R)-13-chloro-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
9010279ChemSpider