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CHEBI:215233 - Dehydroxymethylbis(dethio)bis(methylthio)gliotoxin

Default Structure
ChEBI IDCHEBI:215233
ChEBI NameDehydroxymethylbis(dethio)bis(methylthio)gliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O3S2
Net Charge0
Average Mass326.443
Monoisotopic Mass326.07588
SMILESCS[C@@H]1C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C
InChIInChI=1S/C14H18N2O3S2/c1-15-12(20-2)11(18)16-10-8(5-4-6-9(10)17)7-14(16,21-3)13(15)19/h4-6,9-10,12,17H,7H2,1-3H3/t9-,10-,12+,14+/m0/s1
InChIKeyAHKQNTDHDXRTKQ-BQSGVUBFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2018.07.005)
ChEBI Ontology
Outgoing Relation(s)
Dehydroxymethylbis(dethio)bis(methylthio)gliotoxin (CHEBI:215233) has functional parent α-amino acid (CHEBI:33704)
Dehydroxymethylbis(dethio)bis(methylthio)gliotoxin (CHEBI:215233) is a organonitrogen compound (CHEBI:35352)
Dehydroxymethylbis(dethio)bis(methylthio)gliotoxin (CHEBI:215233) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,5aS,6S,10aR)-6-hydroxy-2-methyl-3,10a-bis(methylsulanyl)-3,5a,6,10-tetrahydropyrazino[1,2-a]indole-1,4-dione