Marvin  11140617102D          

  8  7  0  0  0  0            999 V2000
   -0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
  7  3  2  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <ID>
CHEBI:30842

> <NAME>
oxomalonic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43846; CHEBI:25793; CHEBI:7850

> <SYNONYM>
Oxomalonic acid; Mesoxalic acid; Ketomalonic acid; ALPHA-KETOMALONIC ACID

> <IUPAC_NAME>
oxopropanedioic acid

> <FORMULA>
C3H2O5

> <MASS>
118.04498

> <MONOISOTOPIC_MASS>
117.99022

> <CHARGE>
0

> <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)

> <INCHIKEY>
XEEVLJKYYUVTRC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1754123

> <CAS_REGISTRY_NUMBER>
473-90-5

> <GMELIN_REGISTRY_NUMBER>
482034

> <CHEMIDPLUS>
473-90-5

> <DRUGBANK_ACCESSION>
DB03589

> <KEGG_COMPOUND_ACCESSION>
C00830

> <PDBECHEM_ACCESSION>
MAK

$$$$