CHEBI:205138 - Brevianamide R

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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 Brevianamide R
ChEBI ID CHEBI:205138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H25N3O3
Net Charge 0
Average Mass 379.460
Monoisotopic Mass 379.18959
InChI InChI=1S/C22H25N3O3/c1-5-21(2,3)18-15(14-9-6-7-10-16(14)23-18)13-17-19(26)25-12-8-11-22(25,28-4)20(27)24-17/h5-7,9-10,13,23H,1,8,11-12H2,2-4H3,(H,24,27)/b17-13-/t22-/m0/s1
InChIKey RRSWIGIDOYZHAH-GBKYUFMXSA-N
SMILES O=C/1N2[C@@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
ChEBI Ontology
Outgoing Brevianamide R (CHEBI:205138) has functional parent α-amino acid (CHEBI:33704)
Brevianamide R (CHEBI:205138) is a organonitrogen compound (CHEBI:35352)
Brevianamide R (CHEBI:205138) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z)-8a-methoxy-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-1,4-dione
Manual Xref Database
78435642 ChemSpider
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