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CHEBI:205362 - Epi-aszonalenin A

ChEBI IDCHEBI:205362
ChEBI NameEpi-aszonalenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H25N3O3
Net Charge0
Average Mass415.493
Monoisotopic Mass415.18959
SMILESC=CC(C)(C)[C@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23+,25-/m0/s1
InChIKeyTXNJQKDZOVFCAQ-ZWSUVBHBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus novofumigatus (ncbitaxon:340412) - DOI (10.1016/j.tetlet.2006.06.086)
ChEBI Ontology
Outgoing Relation(s)
Epi-aszonalenin A (CHEBI:205362) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(2S,10S,12S)-3-acetyl-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Manual XrefsDatabases
28283630ChemSpider