Ketcher 11251908342D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   -2.2128   -1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2129   -2.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3469   -2.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -2.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -2.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -3.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790   -2.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -2.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512    0.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    0.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  2  7  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  4  9  1  0     0  0
  5  6  2  0     0  0
  5  8  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 11 14  2  0     0  0
M  END
> <ID>
CHEBI:61493

> <NAME>
(2Z,4E)-4-carboxy-2-hydroxyhexa-2,4-dienedioic acid

> <DEFINITION>
A 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid having (2Z,4E)-configuration about the C=C double bonds.

> <STAR>
3

> <SYNONYM>
(Z,E)-4-carboxy-2-hydroxyhexa-2,4-dienedioic acid; (E,Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid

> <IUPAC_NAME>
(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid

> <FORMULA>
C7H6O7

> <MASS>
202.118

> <MONOISOTOPIC_MASS>
202.01135

> <CHARGE>
0

> <SMILES>
O=C(/C=C(/C(=O)O)\C=C(\C(O)=O)/O)O

> <INCHI>
InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1-

> <INCHIKEY>
QWLUKZXOQAQUFQ-NAOWAUKJSA-N

> <PDBECHEM_ACCESSION>
0GY

> <PUBMED_CITATION>
22475079

$$$$