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CHEBI:198252 - Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin

ChEBI IDCHEBI:198252
ChEBI NameBis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O3S
Net Charge0
Average Mass292.360
Monoisotopic Mass292.08816
SMILESC=C1C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C
InChIInChI=1S/C14H16N2O3S/c1-8-12(18)16-11-9(5-4-6-10(11)17)7-14(16,20-3)13(19)15(8)2/h4-6,10-11,17H,1,7H2,2-3H3/t10-,11-,14+/m0/s1
InChIKeyOXNWZASJHXTGNL-COPLHBTASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22148349)
ChEBI Ontology
Outgoing Relation(s)
Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin (CHEBI:198252) has functional parent α-amino acid (CHEBI:33704)
Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin (CHEBI:198252) is a organonitrogen compound (CHEBI:35352)
Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin (CHEBI:198252) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(5aS,6S,10aR)-6-hydroxy-2-methyl-3-methylidene-10a-methylsulanyl-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
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