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CHEBI:220304 - Epoxyisoechinulin A

ChEBI IDCHEBI:220304
ChEBI NameEpoxyisoechinulin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29N3O3
Net Charge0
Average Mass407.514
Monoisotopic Mass407.22089
SMILESC=CC(C)(C)c1nc2ccc(CC3OC3(C)C)cc2c1/C=C1\NC(=O)C(C)NC1=O
InChIInChI=1S/C24H29N3O3/c1-7-23(3,4)20-16(12-18-22(29)25-13(2)21(28)27-18)15-10-14(8-9-17(15)26-20)11-19-24(5,6)30-19/h7-10,12-13,19,26H,1,11H2,2-6H3,(H,25,29)(H,27,28)/b18-12-
InChIKeyFEZSGSCOTNYMBN-PDGQHHTCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27756151)
ChEBI Ontology
Outgoing Relation(s)
Epoxyisoechinulin A (CHEBI:220304) is a indoles (CHEBI:24828)
IUPAC Name 
(3Z)-3-[[5-[(3,3-dimethyloxiran-2-yl)methyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
Manual XrefsDatabases
61708434ChemSpider