13 13  0  0  0  0  0  0  0  0999 V2000
   24.9686  -22.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1800  -23.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9686  -21.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7512  -23.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3914  -22.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1800  -20.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5397  -22.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7512  -24.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3914  -21.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6088  -23.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1857  -19.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8203  -22.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6088  -24.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  6 11  2  0     0  0
 10 12  1  0     0  0
 10 13  2  0     0  0
  6  9  1  0     0  0
M  END
> <ID>
CHEBI:3586

> <NAME>
Chelidonic acid

> <STAR>
2

> <SYNONYM>
Chelidonic acid; 4-Oxo-4H-pyran-2,6-dicarboxylic acid

> <FORMULA>
C7H4O6

> <MASS>
184.103

> <MONOISOTOPIC_MASS>
184.00079

> <CHARGE>
0

> <SMILES>
OC(=O)c1cc(=O)cc(o1)C(O)=O

> <INCHI>
InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)

> <INCHIKEY>
PBAYDYUZOSNJGU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
99-32-1

> <KEGG_COMPOUND_ACCESSION>
C08476

> <KNAPSACK_ACCESSION>
C00001304

$$$$