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CHEBI:204699 - 1,4-diacetyl-2,5-dibenzylpiperazine 3,7"-oxide

ChEBI IDCHEBI:204699
ChEBI Name1,4-diacetyl-2,5-dibenzylpiperazine 3,7"-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26N2O6
Net Charge0
Average Mass438.480
Monoisotopic Mass438.17909
SMILESCOc1cc(CC2[C@@H]3OC(c4ccccc4)[C@@H](CN2C(C)=O)N3C(C)=O)cc2c1OCO2
InChIInChI=1S/C24H26N2O6/c1-14(27)25-12-19-22(17-7-5-4-6-8-17)32-24(26(19)15(2)28)18(25)9-16-10-20(29-3)23-21(11-16)30-13-31-23/h4-8,10-11,18-19,22,24H,9,12-13H2,1-3H3/t18?,19-,22?,24+/m1/s1
InChIKeyLWBQQWFBVWVQDG-AKLSNBSISA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (22976482)
ChEBI Ontology
Outgoing Relation(s)
1,4-diacetyl-2,5-dibenzylpiperazine 3,7"-oxide (CHEBI:204699) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-[(1R,5S)-8-acetyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-7-phenyl-6-oxa-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
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78437181ChemSpider