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CHEBI:220694 - Brasiliamide E

ChEBI IDCHEBI:220694
ChEBI NameBrasiliamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O4
Net Charge0
Average Mass382.460
Monoisotopic Mass382.18926
SMILESCOc1cc(CC2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2)cc2c1OCO2
InChIInChI=1S/C22H26N2O4/c1-15(25)24-13-18(23-12-19(24)9-16-6-4-3-5-7-16)8-17-10-20(26-2)22-21(11-17)27-14-28-22/h3-7,10-11,18-19,23H,8-9,12-14H2,1-2H3/t18?,19-/m0/s1
InChIKeyAZQJCMKZNJKNSU-GGYWPGCISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15118309)
ChEBI Ontology
Outgoing Relation(s)
Brasiliamide E (CHEBI:220694) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-[(2S)-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
Manual XrefsDatabases
78437663ChemSpider