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(Q82087894)
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NSC611346
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
242.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1=COC(O)C2C(C)OC(=O)CC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1=CO[C@@H](O)[C@@H]2C(C)OC(=O)C[C@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H14O6/c1-5-9-6(3-8(12)17-5)7(10(13)15-2)4-16-11(9)14/h4-6,9,11,14H,3H2,1-2H3/t5?,6-,9-,11-/m1/s1
0 references
InChIKey
COZKAJSKOQAWLF-LXHDUDQSSA-N
0 references
CAS Registry Number
74848-77-4
0 references
PubChem CID
356203
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64775974
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10326723
0 references
DSSTOX compound identifier
DTXCID00277836
0 references
NSC number
611346
0 references
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