Marvin  12060717432D          

 15 14  0  0  0  0            999 V2000
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 10  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4 11  1  4  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7 15  1  4  0  0  0
  8  7  1  0  0  0  0
 14  8  2  0  0  0  0
  9  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <ID>
CHEBI:47959

> <NAME>
5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid

> <STAR>
3

> <IUPAC_NAME>
5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid

> <FORMULA>
C8H8O7

> <MASS>
216.14492

> <MONOISOTOPIC_MASS>
216.02700

> <CHARGE>
0

> <SMILES>
OC(=O)CC(=CC=C(O)C(O)=O)C(O)=O

> <INCHI>
InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,9H,3H2,(H,10,11)(H,12,13)(H,14,15)

> <INCHIKEY>
HJIBROWPWNLWHX-UHFFFAOYSA-N

$$$$