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CHEBI:200339 - N6-Formyl-roquefortin C

ChEBI IDCHEBI:200339
ChEBI NameN6-Formyl-roquefortin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23N5O3
Net Charge0
Average Mass417.469
Monoisotopic Mass417.18009
SMILESC=CC(C)(C)C12CC3C(=O)N/C(=C\c4cncn4)C(=O)N3C1N(C=O)c1ccccc12
InChIInChI=1S/C23H23N5O3/c1-4-22(2,3)23-10-18-19(30)26-16(9-14-11-24-12-25-14)20(31)28(18)21(23)27(13-29)17-8-6-5-7-15(17)23/h4-9,11-13,18,21H,1,10H2,2-3H3,(H,24,25)(H,26,30)/b16-9-
InChIKeyIARYZEMKPILIFA-SXGWCWSVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1021/np50109a017)
ChEBI Ontology
Outgoing Relation(s)
N6-Formyl-roquefortin C (CHEBI:200339) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde
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78443687ChemSpider