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CHEBI:209463 - Asperdiazapinone E

ChEBI IDCHEBI:209463
ChEBI NameAsperdiazapinone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25N3O4
Net Charge0
Average Mass407.470
Monoisotopic Mass407.18451
SMILESCC(C)=CC[C@H]1CCC(=O)C2=C1C(=O)N[C@@H](Cc1cnc3cc(O)ccc13)C(=O)N2
InChIInChI=1S/C23H25N3O4/c1-12(2)3-4-13-5-8-19(28)21-20(13)23(30)25-18(22(29)26-21)9-14-11-24-17-10-15(27)6-7-16(14)17/h3,6-7,10-11,13,18,24,27H,4-5,8-9H2,1-2H3,(H,25,30)(H,26,29)/t13-,18-/m0/s1
InChIKeyUYXFNWHKPGVMAY-UGSOOPFHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2013.11.009)
ChEBI Ontology
Outgoing Relation(s)
Asperdiazapinone E (CHEBI:209463) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3S,6R)-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-1,3,4,6,7,8-hexahydro-1,4-benzodiazepine-2,5,9-trione
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35003406ChemSpider