Mrv0541 01271412152D          

 15 15  0  0  0  0            999 V2000
    4.6826   -2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6826   -2.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9681   -1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -2.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9681   -3.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971   -1.6054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115   -2.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392   -1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247   -2.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392   -0.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8260   -1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115   -2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8260   -0.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5405   -2.0179    0.0000 O   0  0  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  END
> <ID>
CHEBI:77107

> <NAME>
3-[(1-carboxyvinyl)oxy]benzoic acid

> <DEFINITION>
A dicarboxylic acid that is benzoic acid in which the hydrogen at position 3 is replaced by a (1-carboxyvinyl)oxy group.

> <STAR>
3

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

> <FORMULA>
C10H8O5

> <MASS>
208.16750

> <MONOISOTOPIC_MASS>
208.03717

> <CHARGE>
0

> <SMILES>
OC(=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)

> <INCHIKEY>
HGVAHYJMDVROLE-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2373061

> <PUBMED_CITATION>
24083939

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