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CHEBI:189779 - Epoxyfumitremorgin C

ChEBI IDCHEBI:189779
ChEBI NameEpoxyfumitremorgin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N3O4
Net Charge0
Average Mass393.443
Monoisotopic Mass393.16886
SMILESCOc1ccc2c3c(nc2c1)C(C=C(C)C)N1C(=O)C2CCCN2C(=O)C12OC32
InChIInChI=1S/C22H23N3O4/c1-11(2)9-16-18-17(13-7-6-12(28-3)10-14(13)23-18)19-22(29-19)21(27)24-8-4-5-15(24)20(26)25(16)22/h6-7,9-10,15-16,19,23H,4-5,8H2,1-3H3
InChIKeyXBJWPHYIDCHMPQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
Epoxyfumitremorgin C (CHEBI:189779) is a β-carbolines (CHEBI:60834)
IUPAC Name 
8-methoxy-13-(2-methylprop-1-enyl)-2-oxa-11,14,20-triazahexacyclo[12.7.0.01,3.04,12.05,10.016,20]henicosa-4(12),5(10),6,8-tetraene-15,21-dione
Manual XrefsDatabases
HMDB0038643HMDB
35014621ChemSpider