Mrv0541 01271412062D          

 15 15  0  0  1  0            999 V2000
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  2  10  -1  15  -1
M  END
> <ID>
CHEBI:76981

> <NAME>
3-[(1-carboxylatovinyl)oxy]benzoate(2-)

> <DEFINITION>
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-[(1-carboxyvinyl)oxy]benzoic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
3-[(1-carboxyvinyl)-oxy]benzoate

> <IUPAC_NAME>
3-[(1-carboxylatovinyl)oxy]benzoate

> <FORMULA>
C10H6O5

> <MASS>
206.15270

> <MONOISOTOPIC_MASS>
206.02262

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)C(=C)Oc1cccc(c1)C([O-])=O

> <INCHI>
InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)/p-2

> <INCHIKEY>
HGVAHYJMDVROLE-UHFFFAOYSA-L

> <REAXYS_REGISTRY_NUMBER>
9631612

> <PUBMED_CITATION>
24083939

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