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(Q105120973)
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English
2-methanesulfinyl-9-methoxy-4H-[1,3]thiazino[6,5-b]indole
group of stereoisomers with the chemical formula C₁₂H₁₂N₂O₂S₂
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Statements
instance of
group of stereoisomers
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subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
280.3685
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂N₂O₂S₂
0 references
canonical SMILES
[O-][S+](C1=NCC=2C=3C=CC=CC3N(OC)C2S1)C
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Identifiers
InChI
InChI=1S/C12H12N2O2S2/c1-16-14-10-6-4-3-5-8(10)9-7-13-12(18(2)15)17-11(9)14/h3-6H,7H2,1-2H3
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InChIKey
IVCVQRJWYKCARE-UHFFFAOYSA-N
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PubChem CID
10660412
1 reference
based on heuristic
inferred from InChIKey
ChEBI ID
173993
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
32009628
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036650
1 reference
based on heuristic
inferred from InChIKey
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