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(Q104193781)
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English
Bis(methylthio)gliotoxin(fr-49175)
group of stereoisomers with the chemical formula C₁₅H₂₀N₂O₄S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic 2,5-diketopiperazine
1 reference
inferred from
biogenic 2,5-diketopiperazine
mass
356.08644912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀N₂O₄S₂
0 references
canonical SMILES
O=C1N(C)C(SC)(C(=O)N2C3C(=CC=CC3O)CC12SC)CO
0 references
found in taxon
Gliocladium flavofuscum
1 reference
stated in
Metabolites of Gliocladium flavofuscum
Identifiers
InChI
InChI=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
0 references
InChIKey
OVBAGMZLGLXSBN-UHFFFAOYSA-N
0 references
PubChem CID
5114266
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OVBAGMZLGLXSBN-UHFFFAOYSA-N
UniChem compound ID
45678506
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0249258
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OVBAGMZLGLXSBN-UHFFFAOYSA-N
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