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(Q83018458)
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English
1-Glucopyranosylpyrid-2(1H)-one-6-acetic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
315.095416504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₇NO₈
0 references
canonical SMILES
O=C(O)CC1=CC=CC(=O)N1C2OC(CO)C(O)C(O)C2O
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isomeric SMILES
C1=CC(=O)N(C(=C1)CC(=O)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
found in taxon
Iberian ribbed newt
1 reference
stated in
Isolation and structure of a novel pyridine derivative from the Algerian newt, Pleuvodeles waltlii
Identifiers
InChI
InChI=1S/C13H17NO8/c15-5-7-10(19)11(20)12(21)13(22-7)14-6(4-9(17)18)2-1-3-8(14)16/h1-3,7,10-13,15,19-21H,4-5H2,(H,17,18)/t7-,10-,11+,12-,13-/m1/s1
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InChIKey
ZDYPNWSRIUIALY-WPTBKURFSA-N
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CAS Registry Number
117803-24-4
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PubChem CID
3082880
0 references
UniChem compound ID
31569327
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90151914
1 reference
matched by identifier from
InChIKey
InChIKey
ZDYPNWSRIUIALY-WPTBKURFSA-N
DSSTOX compound identifier
DTXCID2074405
0 references
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