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CHEBI:212059 - Roquefortine D

ChEBI IDCHEBI:212059
ChEBI NameRoquefortine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N5O2
Net Charge0
Average Mass391.475
Monoisotopic Mass391.20083
SMILESC=CC(C)(C)C12CC3C(=O)NC(Cc4cncn4)C(=O)N3C1Nc1ccccc12
InChIInChI=1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28)
InChIKeyIQVNREJWRXOHEO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1271/bbb1961.42.2387)
ChEBI Ontology
Outgoing Relation(s)
Roquefortine D (CHEBI:212059) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
4-(1H-imidazol-5-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
19991602ChemSpider
C22163KEGG COMPOUND