Marvin  12060717132D          

 15 14  0  0  0  0            999 V2000
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.4144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.4144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  4  3  1  0  0  0  0
  9  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
 12  7  1  0  0  0  0
 15  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
> <ID>
CHEBI:2040

> <NAME>
(2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid

> <DEFINITION>
The (2Z,4E)-stereoisomer of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid.

> <STAR>
3

> <SYNONYM>
5-Carboxymethyl-2-hydroxymuconate

> <IUPAC_NAME>
(2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid

> <FORMULA>
C8H8O7

> <MASS>
216.14492

> <MONOISOTOPIC_MASS>
216.02700

> <CHARGE>
0

> <SMILES>
OC(=O)C\C(=C\C=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)/b4-1-,5-2+

> <INCHIKEY>
HJIBROWPWNLWHX-AGRHYVPTSA-N

> <REAXYS_REGISTRY_NUMBER>
6141790

> <KEGG_COMPOUND_ACCESSION>
C04186

> <METACYC_ACCESSION>
CPD-784

$$$$