CHEBI:220304 - Epoxyisoechinulin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epoxyisoechinulin A
ChEBI ID CHEBI:220304
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H29N3O3
Net Charge 0
Average Mass 407.514
Monoisotopic Mass 407.22089
InChI InChI=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-
InChIKey FEZSGSCOTNYMBN-PDGQHHTCSA-N
SMILES O=C/1NC(C(=O)N\C1=C/C=2C3=C(C=CC(=C3)CC4OC4(C)C)NC2C(C=C)(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
61708434 ChemSpider
View more database links