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CHEBI:209314 - Asperdiazapinone F

ChEBI IDCHEBI:209314
ChEBI NameAsperdiazapinone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N3O4
Net Charge0
Average Mass475.589
Monoisotopic Mass475.24711
SMILESCC(C)=CCc1c(O)ccc2c(C[C@@H]3NC(=O)C4=C(NC3=O)C(=O)CC[C@@H]4CC=C(C)C)cnc12
InChIInChI=1S/C28H33N3O4/c1-15(2)5-7-17-8-11-23(33)26-24(17)28(35)30-21(27(34)31-26)13-18-14-29-25-19(18)10-12-22(32)20(25)9-6-16(3)4/h5-6,10,12,14,17,21,29,32H,7-9,11,13H2,1-4H3,(H,30,35)(H,31,34)/t17-,21-/m0/s1
InChIKeyNGQHQXSBYFBPOA-UWJYYQICSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2013.11.009)
ChEBI Ontology
Outgoing Relation(s)
Asperdiazapinone F (CHEBI:209314) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3S,6R)-3-[[6-hydroxy-7-(3-methylbut-2-enyl)-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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35003407ChemSpider