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CHEBI:210233 - Aspamide B

ChEBI IDCHEBI:210233
ChEBI NameAspamide B
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SubmitterMetaboLights
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FormulaC23H27N3O3
Net Charge0
Average Mass393.487
Monoisotopic Mass393.20524
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@@H]2CC[C@H](OCC)N2C1=O
InChIInChI=1S/C23H27N3O3/c1-5-23(3,4)20-15(14-9-7-8-10-16(14)24-20)13-17-22(28)26-18(21(27)25-17)11-12-19(26)29-6-2/h5,7-10,13,18-19,24H,1,6,11-12H2,2-4H3,(H,25,27)/b17-13-/t18-,19-/m0/s1
InChIKeyWOWPMMVRUBMZAE-GWVOEYNXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (32605149)
ChEBI Ontology
Outgoing Relation(s)
Aspamide B (CHEBI:210233) has functional parent α-amino acid (CHEBI:33704)
Aspamide B (CHEBI:210233) is a organonitrogen compound (CHEBI:35352)
Aspamide B (CHEBI:210233) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S,8aS)-6-ethoxy-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
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87494736ChemSpider