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(Q105005548)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-phenyl-N-sulfooxypropanimidothioate
group of stereoisomers with the chemical formula C₁₅H₂₁NO₁₀S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
439.4607
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₁NO₁₀S₂
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canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC(O)C=2C=CC=CC2
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Identifiers
InChI
InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)
0 references
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
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PubChem CID
75144758
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
80081516
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308765
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307171
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307175
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307179
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307183
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307190
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307194
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307198
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307202
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307206
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307210
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307214
1 reference
InChIKey
GAPDDBFHNYHZIS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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