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CHEBI:223419 - Brasiliamide C

ChEBI IDCHEBI:223419
ChEBI NameBrasiliamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26N2O5
Net Charge0
Average Mass422.481
Monoisotopic Mass422.18417
SMILESCOc1cc(C[C@H]2CN(C(C)=O)/C(=C/c3ccccc3)CN2C(C)=O)cc2c1OCO2
InChIInChI=1S/C24H26N2O5/c1-16(27)25-14-21(10-19-11-22(29-3)24-23(12-19)30-15-31-24)26(17(2)28)13-20(25)9-18-7-5-4-6-8-18/h4-9,11-12,21H,10,13-15H2,1-3H3/b20-9+/t21-/m0/s1
InChIKeyVWNJKIKLJYYOOD-JOYAQPMTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15118309)
ChEBI Ontology
Outgoing Relation(s)
Brasiliamide C (CHEBI:223419) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-[(2E)-4-acetyl-2-benzylidene-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
Manual XrefsDatabases
78434914ChemSpider