CHEBI:201929 - Epi-aszonalenin B

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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 Epi-aszonalenin B
ChEBI ID CHEBI:201929
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H23N3O3
Net Charge 0
Average Mass 401.466
Monoisotopic Mass 401.17394
InChI InChI=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
InChIKey IWRNQJRIMSPELQ-KWOQKUFVSA-N
SMILES O=C1N2[C@H]3N(C=4C=CC=CC4[C@@]3(C(C=C)(C)C)C[C@H]2C(=O)NC5=C1C=CC=C5)C=O
Metabolite of Species Details
Aspergillus novofumigatus (NCBI:txid340412) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78439634 ChemSpider
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