Ketcher 04161816152D 1   1.00000     0.00000     0

  4  3  0     0  0            999 V2000
   -3.8571    2.3215    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9912    1.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1251    2.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9912    0.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  2  0     0  0
M  END
> <ID>
CHEBI:140601

> <NAME>
fatty acid 4:0

> <DEFINITION>
Any saturated fatty acid containing 4 carbons.

> <STAR>
3

> <FORMULA>
CHO2R

> <MASS>
45.017

> <MONOISOTOPIC_MASS>
44.99765

> <CHARGE>
0

> <SMILES>
*C(O)=O

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