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CHEBI:218551 - Saroclazine C

ChEBI IDCHEBI:218551
ChEBI NameSaroclazine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N2O4
Net Charge0
Average Mass330.384
Monoisotopic Mass330.15796
SMILESCC(C)=CCOc1ccc(C[C@H]2C(=O)N(C)C(=O)C(=O)N2C)cc1
InChIInChI=1S/C18H22N2O4/c1-12(2)9-10-24-14-7-5-13(6-8-14)11-15-16(21)20(4)18(23)17(22)19(15)3/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChIKeyZXSMKBNYRITJGY-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Sarocladium (ncbitaxon:284134) - PubMed (29103141)
ChEBI Ontology
Outgoing Relation(s)
Saroclazine C (CHEBI:218551) has functional parent α-amino acid (CHEBI:33704)
Saroclazine C (CHEBI:218551) is a organonitrogen compound (CHEBI:35352)
Saroclazine C (CHEBI:218551) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(6S)-1,4-dimethyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,3,5-trione
Manual XrefsDatabases
71048709ChemSpider