CHEBI:200339 - N6-Formyl-roquefortin C

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ChEBI Name N6-Formyl-roquefortin C
ChEBI ID CHEBI:200339
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H23N5O3
Net Charge 0
Average Mass 417.469
Monoisotopic Mass 417.18009
InChI InChI=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-
InChIKey IARYZEMKPILIFA-SXGWCWSVSA-N
SMILES O=C/1N2C3N(C=4C=CC=CC4C3(C(C=C)(C)C)CC2C(=O)N\C1=C/C=5NC=NC5)C=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78443687 ChemSpider
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