Marvin  03180700052D          

  8  7  0  0  0  0            999 V2000
   -2.3220   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.3094    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <ID>
CHEBI:24574

> <NAME>
hexanoyl group

> <STAR>
3

> <SYNONYM>
Hxo; CH3-[CH2]4-CO-

> <IUPAC_NAME>
hexanoyl

> <FORMULA>
C6H11O

> <MASS>
99.15094

> <MONOISOTOPIC_MASS>
99.08099

> <CHARGE>
0

> <SMILES>
CCCCCC(=O)*

$$$$