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CHEBI:204765 - (3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione

ChEBI IDCHEBI:204765
ChEBI Name(3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N2O3S2
Net Charge0
Average Mass408.589
Monoisotopic Mass408.15413
SMILESCS[C@@H]1C(=O)N(C)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C
InChIInChI=1S/C20H28N2O3S2/c1-14(2)11-12-25-16-9-7-15(8-10-16)13-20(27-6)19(24)21(3)18(26-5)17(23)22(20)4/h7-11,18H,12-13H2,1-6H3/t18-,20+/m1/s1
InChIKeyXBKBUMFBHNQOLC-QUCCMNQESA-N
Species of MetaboliteComponentSourceComments
Colletotrichum gloeosporioides (ncbitaxon:474922) - PubMed (20541231)
ChEBI Ontology
Outgoing Relation(s)
(3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:204765) has functional parent α-amino acid (CHEBI:33704)
(3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:204765) is a organonitrogen compound (CHEBI:35352)
(3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:204765) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione
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