Marvin  04230714562D          

  8  7  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  8  1  0  0  0  0
  1  5  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  7  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <ID>
CHEBI:38126

> <NAME>
malealdehyde

> <STAR>
3

> <SYNONYM>
(Z)-2-butenedial

> <IUPAC_NAME>
(2Z)-but-2-enedial

> <FORMULA>
C4H4O2

> <MASS>
84.07336

> <MONOISOTOPIC_MASS>
84.02113

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-

> <INCHIKEY>
JGEMYUOFGVHXKV-UPHRSURJSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1719540

> <CAS_REGISTRY_NUMBER>
3675-13-6

> <CHEMIDPLUS>
3675-13-6

$$$$