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CHEBI:220015 - Brasiliamide B

ChEBI IDCHEBI:220015
ChEBI NameBrasiliamide B
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SubmitterMetaboLights
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FormulaC24H26N2O5
Net Charge0
Average Mass422.481
Monoisotopic Mass422.18417
SMILESCOc1cc(CC2=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/h4-8,11-12,14,20H,9-10,13,15H2,1-3H3/t20-/m0/s1
InChIKeyKOVXJYRERSJPIQ-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (12353630)
ChEBI Ontology
Outgoing Relation(s)
Brasiliamide B (CHEBI:220015) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-[4-acetyl-3-benzyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,3-dihydropyrazin-1-yl]ethanone
Manual XrefsDatabases
29814251ChemSpider