ChEBI
  Marvin  09290516072D          

  8  7  0  0  0  0            999 V2000
    5.8963   -3.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -2.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163   -2.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8963   -3.8824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4672   -3.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4672   -3.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7641   -2.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -1.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  2  1  1  0  0  0  0
  5  2  1  0  0  0  0
  8  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:30843

> <NAME>
oxomalonate(1-)

> <STAR>
3

> <IUPAC_NAME>
carboxy(oxo)acetate

> <FORMULA>
C3HO5

> <MASS>
117.03704

> <MONOISOTOPIC_MASS>
116.98295

> <CHARGE>
-1

> <SMILES>
OC(=O)C(=O)C([O-])=O

> <INCHI>
InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)/p-1

> <INCHIKEY>
XEEVLJKYYUVTRC-UHFFFAOYSA-M

> <GMELIN_REGISTRY_NUMBER>
325478

$$$$