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(Q82900665)
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English
Methyl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino](O~4~,O~7~,O~8~,O~9~-~2~H_4_)non-2-ulopyranosidonic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
327.146738236
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₂₁NO₉
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canonical SMILES
[2H]OCC(O[2H])C(O[2H])C1OC(OC)(C(=O)O)CC(O[2H])C1NC(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[2H]OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)OC)O[2H])NC(=O)C)O[2H])O[2H]
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Identifiers
InChI
InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1/i14D,16D,17D,18D
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InChIKey
NJRVVFURCKKXOD-UKJQISGUSA-N
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CAS Registry Number
128643-78-7
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PubChem CID
195581
1 reference
matched by identifier from
InChIKey
InChIKey
NJRVVFURCKKXOD-UKJQISGUSA-N
UniChem compound ID
63094624
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50926180
1 reference
matched by identifier from
InChIKey
InChIKey
NJRVVFURCKKXOD-UKJQISGUSA-N
DSSTOX compound identifier
DTXCID301354998
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