(2E,4Z)-2-amino-6-oxohexa-2,4-dienoate
  Marvin  07091009342D          

 11 10  0  0  0  0            999 V2000
    6.5303   -4.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920   -4.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9976   -4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0082   -2.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2146   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5383   -3.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8458   -4.8114    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2814   -5.3566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471   -3.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242   -2.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8989   -2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
 10  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1   7  -1
M  END
> <ID>
CHEBI:57495

> <NAME>
2-aminomuconate 6-semialdehyde(1-)

> <DEFINITION>
Conjugate base of 2-aminomuconic 6-semialdehyde arsing from deprotonation of the carboxylic acid function.

> <STAR>
3

> <IUPAC_NAME>
(2E,4Z)-2-amino-6-oxohexa-2,4-dienoate

> <FORMULA>
C6H6NO3

> <MASS>
140.11670

> <MONOISOTOPIC_MASS>
140.03532

> <CHARGE>
-1

> <SMILES>
[H]C(=O)\C=C/C=C(/N)C([O-])=O

> <INCHI>
InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/p-1/b2-1-,5-3+

> <INCHIKEY>
QCGTZPZKJPTAEP-REDYYMJGSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
10157394

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