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CHEBI:218692 - (+)-brevianamide X

ChEBI IDCHEBI:218692
ChEBI Name(+)-brevianamide X
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O4
Net Charge0
Average Mass381.432
Monoisotopic Mass381.16886
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@@]2(O)[C@@H](O)CCN2C1=O
InChIInChI=1S/C21H23N3O4/c1-4-20(2,3)17-13(12-7-5-6-8-14(12)22-17)11-15-18(26)24-10-9-16(25)21(24,28)19(27)23-15/h4-8,11,16,22,25,28H,1,9-10H2,2-3H3,(H,23,27)/b15-11-/t16-,21-/m0/s1
InChIKeyLCBNOKFBMBJQFX-QXGSAYMNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30583513)
ChEBI Ontology
Outgoing Relation(s)
(+)-brevianamide X (CHEBI:218692) has functional parent α-amino acid (CHEBI:33704)
(+)-brevianamide X (CHEBI:218692) is a organonitrogen compound (CHEBI:35352)
(+)-brevianamide X (CHEBI:218692) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,8S,8aS)-8,8a-dihydroxy-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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