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CHEBI:211314 - Brasiliamide G

ChEBI IDCHEBI:211314
ChEBI NameBrasiliamide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26N2O5
Net Charge0
Average Mass422.481
Monoisotopic Mass422.18417
SMILESCOc1cc(/C=C2\CN(C(C)=O)[C@@H](Cc3ccccc3)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/h4-8,10-12,20H,9,13-15H2,1-3H3/b21-10+/t20-/m0/s1
InChIKeyDEALRZISPQZPLW-KQBANSRISA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (31278976)
ChEBI Ontology
Outgoing Relation(s)
Brasiliamide G (CHEBI:211314) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-[(2E,5S)-4-acetyl-5-benzyl-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]piperazin-1-yl]ethanone