CHEBI:210238 - Aspamide C

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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 C
ChEBI ID CHEBI:210238
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H23N3O3
Net Charge 0
Average Mass 365.433
Monoisotopic Mass 365.17394
InChI InChI=1S/C21H23N3O3/c1-4-21(2,3)18-14(13-7-5-6-8-15(13)22-18)10-16-20(27)24-11-12(25)9-17(24)19(26)23-16/h4-8,10,12,17,22,25H,1,9,11H2,2-3H3,(H,23,26)/t12-,17+/m1/s1
InChIKey OOTWRQKJVJLMKU-PXAZEXFGSA-N
SMILES O=C1N2[C@H](C(=O)NC1=CC=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C[C@H](C2)O
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: PubMed
ChEBI Ontology
Outgoing Aspamide C (CHEBI:210238) has functional parent α-amino acid (CHEBI:33704)
Aspamide C (CHEBI:210238) is a organonitrogen compound (CHEBI:35352)
Aspamide C (CHEBI:210238) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(7R,8aS)-7-hydroxy-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