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CHEBI:210661 - Roquefortine F

ChEBI IDCHEBI:210661
ChEBI NameRoquefortine F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25N5O3
Net Charge0
Average Mass419.485
Monoisotopic Mass419.19574
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C/c4cncn4)C(=O)N3[C@@H]1N(OC)c1ccccc12
InChIInChI=1S/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+/t18-,21+,23+/m0/s1
InChIKeyUGXLTDJSORIITQ-QTJDKHMESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2008.11.078)
ChEBI Ontology
Outgoing Relation(s)
Roquefortine F (CHEBI:210661) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4E,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-16-methoxy-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
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78438492ChemSpider