Marvin  08031212112D          

 14 14  0  0  0  0            999 V2000
   -0.5304    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3275    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986    1.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565    0.9723    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0420   -0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  CHG  1  13  -1
M  END
> <ID>
CHEBI:66893

> <NAME>
4-(6-hydroxypyridin-3-yl)-4-oxobutyrate

> <DEFINITION>
A 4-oxo monocarboxylic acid anion that is the conjugate base of 4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
6-hydroxy-3-succinoyl-pyridine; 4-(6-hydroxypyridin-3-yl)-4-oxobutanoate

> <IUPAC_NAME>
4-(6-hydroxypyridin-3-yl)-4-oxobutanoate

> <FORMULA>
C9H8NO4

> <MASS>
194.16410

> <MONOISOTOPIC_MASS>
194.04588

> <CHARGE>
-1

> <SMILES>
Oc1ccc(cn1)C(=O)CCC([O-])=O

> <INCHI>
InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)/p-1

> <INCHIKEY>
OMAJIMAYOJBLJF-UHFFFAOYSA-M

> <METACYC_ACCESSION>
CPD-14096

> <PUBMED_CITATION>
18203859

$$$$