Ketcher 09022116322D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
    5.4640   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999    0.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8659    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4640   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8659    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0     0  0
  2  9  1  0     0  0
  3  9  2  0     0  0
  4 10  1  0     0  0
  5 10  2  0     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
M  ISO  4   6  13   7  13   8  13  10  13
M  END
> <ID>
CHEBI:178083

> <NAME>
alpha-ketoglutaric acid-13C4

> <STAR>
2

> <FORMULA>
C[13C]4H6O5

> <MASS>
150.067

> <MONOISOTOPIC_MASS>
150.03494

> <CHARGE>
0

> <SMILES>
O=[13C]([13CH2][13CH2]C(O)=O)[13C](O)=O

> <INCHI>
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,5+1

> <INCHIKEY>
KPGXRSRHYNQIFN-SAXDBNRNSA-N

$$$$