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CHEBI:219781 - Bisdethiobis(methylthio)gliotoxin

ChEBI IDCHEBI:219781
ChEBI NameBisdethiobis(methylthio)gliotoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20N2O4S2
Net Charge0
Average Mass356.469
Monoisotopic Mass356.08645
SMILESCS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C
InChIInChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
InChIKeyOVBAGMZLGLXSBN-UOVKNHIHSA-N
Species of MetaboliteComponentSourceComments
Trichoderma deliquescens (ncbitaxon:29861) - DOI (10.1039/P19800000119)
ChEBI Ontology
Outgoing Relation(s)
Bisdethiobis(methylthio)gliotoxin (CHEBI:219781) has functional parent α-amino acid (CHEBI:33704)
Bisdethiobis(methylthio)gliotoxin (CHEBI:219781) is a organonitrogen compound (CHEBI:35352)
Bisdethiobis(methylthio)gliotoxin (CHEBI:219781) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
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