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CHEBI:211804 - Roquefortine G

ChEBI IDCHEBI:211804
ChEBI NameRoquefortine G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35N5O4
Net Charge0
Average Mass517.630
Monoisotopic Mass517.26890
SMILESC=CC(C)(C)[C@@]12C[C@@]3(OC)C(=O)N/C(=C/c4cn(C(C)(C)CC(C)=O)cn4)C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C29H35N5O4/c1-8-26(3,4)28-16-29(38-7)25(37)32-22(13-19-15-33(17-30-19)27(5,6)14-18(2)35)23(36)34(29)24(28)31-21-12-10-9-11-20(21)28/h8-13,15,17,24,31H,1,14,16H2,2-7H3,(H,32,37)/b22-13+/t24-,28+,29+/m0/s1
InChIKeyRULJMCDOZJZMNB-ZZXIHXDTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2008.11.078)
ChEBI Ontology
Outgoing Relation(s)
Roquefortine G (CHEBI:211804) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4E,7R,9R)-7-methoxy-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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78437452ChemSpider