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CHEBI:218568 - Reduced gliotoxin

ChEBI IDCHEBI:218568
ChEBI NameReduced gliotoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O4S2
Net Charge0
Average Mass328.415
Monoisotopic Mass328.05515
SMILESCN1C(=O)C2(S)CC3=CC=CC(O)C3N2C(=O)C1(S)CO
InChIInChI=1S/C13H16N2O4S2/c1-14-10(18)12(20)5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,21)6-16/h2-4,8-9,16-17,20-21H,5-6H2,1H3
InChIKeyXKTXYYQCJXOOPZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (25421322)
ChEBI Ontology
Outgoing Relation(s)
Reduced gliotoxin (CHEBI:218568) has functional parent α-amino acid (CHEBI:33704)
Reduced gliotoxin (CHEBI:218568) is a organonitrogen compound (CHEBI:35352)
Reduced gliotoxin (CHEBI:218568) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(sulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
Manual XrefsDatabases
34981171ChemSpider