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CHEBI:223931 - Dehydroxybisdethiobis(methylthio) gliotoxin

ChEBI IDCHEBI:223931
ChEBI NameDehydroxybisdethiobis(methylthio) gliotoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20N2O3S2
Net Charge0
Average Mass340.470
Monoisotopic Mass340.09153
SMILESCS[C@]1(C)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C
InChIInChI=1S/C15H20N2O3S2/c1-14(21-3)12(19)17-11-9(6-5-7-10(11)18)8-15(17,22-4)13(20)16(14)2/h5-7,10-11,18H,8H2,1-4H3/t10-,11-,14+,15+/m0/s1
InChIKeyLMIKSOSZXIDKTM-UOVKNHIHSA-N
Species of MetaboliteComponentSourceComments
Pseudallescheriaspecies (ncbitaxon:1871353) - PubMed (16830893)
ChEBI Ontology
Outgoing Relation(s)
Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931) has functional parent α-amino acid (CHEBI:33704)
Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931) is a organonitrogen compound (CHEBI:35352)
Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,5aS,6S,10aR)-6-hydroxy-2,3-dimethyl-3,10a-bis(methylsulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
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9762909ChemSpider