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CHEBI:220671 - Brasiliamide I

ChEBI IDCHEBI:220671
ChEBI NameBrasiliamide I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O4
Net Charge0
Average Mass384.476
Monoisotopic Mass384.20491
SMILESCOc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2)cc(OC)c1O
InChIInChI=1S/C22H28N2O4/c1-15(25)24-14-18(23-13-19(24)10-16-7-5-4-6-8-16)9-17-11-20(27-2)22(26)21(12-17)28-3/h4-8,11-12,18-19,23,26H,9-10,13-14H2,1-3H3/t18-,19-/m0/s1
InChIKeyPZFQCYWITYPTOJ-OALUTQOASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32436033)
ChEBI Ontology
Outgoing Relation(s)
Brasiliamide I (CHEBI:220671) is a methoxybenzenes (CHEBI:51683)
Brasiliamide I (CHEBI:220671) is a phenols (CHEBI:33853)
IUPAC Name 
1-[(2S,5S)-2-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
Manual XrefsDatabases
114779804ChemSpider