CHEBI:189779 - Epoxyfumitremorgin C

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ChEBI Name Epoxyfumitremorgin C
ChEBI ID CHEBI:189779
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23N3O4
Net Charge 0
Average Mass 393.443
Monoisotopic Mass 393.16886
InChI InChI=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
InChIKey XBJWPHYIDCHMPQ-UHFFFAOYSA-N
SMILES O1C23N(C(C=4NC5=C(C4C12)C=CC(OC)=C5)C=C(C)C)C(=O)C6N(C3=O)CCC6
Metabolite of Species Details
Sarcophaga peregrina (NCBI:txid7386) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014621 ChemSpider
HMDB0038643 HMDB
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