25775
  CDK     0602212310

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.3645   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4  9  2  0  0  0  0 
  5 10  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:173796

> <NAME>
Dimethyl 2-oxoglutarate

> <STAR>
2

> <IUPAC_NAME>
dimethyl 2-oxopentanedioate

> <FORMULA>
C7H10O5

> <MASS>
174.152

> <MONOISOTOPIC_MASS>
174.05282

> <CHARGE>
0

> <SMILES>
O(C(=O)CCC(=O)C(OC)=O)C

> <INCHI>
InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3

> <INCHIKEY>
TXIXSLPEABAEHP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13192-04-6

> <CHEMIDPLUS>
13192-04-6

$$$$