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CHEBI:205138 - Brevianamide R

ChEBI IDCHEBI:205138
ChEBI NameBrevianamide R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O3
Net Charge0
Average Mass379.460
Monoisotopic Mass379.18959
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@@]2(OC)CCCN2C1=O
InChIInChI=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
InChIKeyRRSWIGIDOYZHAH-GBKYUFMXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1002/hlca.201000053)
ChEBI Ontology
Outgoing Relation(s)
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
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78435642ChemSpider