CHEBI:210226 - Aspamide A

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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 Aspamide A
ChEBI ID CHEBI:210226
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O3
Net Charge 0
Average Mass 393.487
Monoisotopic Mass 393.20524
InChI InChI=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
InChIKey WOWPMMVRUBMZAE-RCJGQPJSSA-N
SMILES O=C/1N2[C@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: PubMed
ChEBI Ontology
Outgoing Aspamide A (CHEBI:210226) has functional parent α-amino acid (CHEBI:33704)
Aspamide A (CHEBI:210226) is a organonitrogen compound (CHEBI:35352)
Aspamide A (CHEBI:210226) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z,6R,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
Manual Xref Database
87494735 ChemSpider
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