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(Q82300470)
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English
CTK8F2337
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
250.09258705000002
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₂N₂O₆
0 references
canonical SMILES
[2H]c1cn([13CH]2O[13CH]([13CH2]O)[13CH](O)[13CH]2O)c(=O)[nH]c1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[2H]C1=CN(C(=O)NC1=O)[13C@H]2[13C@@H]([13C@@H]([13C@H](O2)[13CH2]O)O)O
0 references
Identifiers
InChI
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1D,3+1,4+1,6+1,7+1,8+1
0 references
InChIKey
DRTQHJPVMGBUCF-WDBXUEINSA-N
0 references
CAS Registry Number
159496-16-9
0 references
PubChem CID
11747043
1 reference
matched by identifier from
InChIKey
InChIKey
DRTQHJPVMGBUCF-WDBXUEINSA-N
UniChem compound ID
33437390
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70471809
1 reference
matched by identifier from
InChIKey
InChIKey
DRTQHJPVMGBUCF-WDBXUEINSA-N
DSSTOX compound identifier
DTXCID80422625
0 references
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