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CHEBI:201929 - Epi-aszonalenin B

ChEBI IDCHEBI:201929
ChEBI NameEpi-aszonalenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23N3O3
Net Charge0
Average Mass401.466
Monoisotopic Mass401.17394
SMILESC=CC(C)(C)[C@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C=O)c1ccccc12
InChIInChI=1S/C24H23N3O3/c1-4-23(2,3)24-13-19-20(29)25-17-11-7-5-9-15(17)21(30)27(19)22(24)26(14-28)18-12-8-6-10-16(18)24/h4-12,14,19,22H,1,13H2,2-3H3,(H,25,29)/t19-,22+,24-/m0/s1
InChIKeyIWRNQJRIMSPELQ-KWOQKUFVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus novofumigatus (ncbitaxon:340412) - DOI (10.1016/j.tetlet.2006.06.086)
ChEBI Ontology
Outgoing Relation(s)
Epi-aszonalenin B (CHEBI:201929) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(2R,10S,12S)-10-(2-methylbut-3-en-2-yl)-13,21-dioxo-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-3-carbaldehyde
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78439634ChemSpider