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English
4-O-(1-Carboxyethyl)-6-deoxyhexose
group of stereoisomers with the chemical formula C₉H₁₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
236.089602852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(OC(C(C)O)C(O)C(O)C=O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O[C@H]([C@@H](O)[C@@H](O)C=O)[C@H](C)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H16O7/c1-4(11)8(7(13)6(12)3-10)16-5(2)9(14)15/h3-8,11-13H,1-2H3,(H,14,15)/t4-,5?,6-,7-,8-/m0/s1
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InChIKey
SHCQKCKKXMAWFD-MDUBGLNMSA-N
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CAS Registry Number
128534-92-9
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PubChem CID
131004
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56274538
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20926157
0 references
DSSTOX compound identifier
DTXCID001354975
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