Ketcher 07111815312D 1   1.00000     0.00000     0

 15 14  0     0  0            999 V2000
    0.8661   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.2000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.2000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.2000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  6  2  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  7  4  1  0     0  0
  5  3  1  0     0  0
  8  5  1  0     0  0
  9  6  1  0     0  0
 10  7  2  0     0  0
 15  7  1  0     0  0
 11  8  2  0     0  0
 14  8  1  0     0  0
 13  9  1  0     0  0
 12  9  2  0     0  0
M  END
> <ID>
CHEBI:141287

> <NAME>
triacylglycerol 52:9

> <STAR>
2

> <SYNONYM>
triacylglycerol(52:9); TG(52:9); TAG(52:9)

> <FORMULA>
C55H88O6

> <MASS>
173.101

> <MONOISOTOPIC_MASS>
844.65809

> <CHARGE>
0

> <SMILES>
C(C(OC(*)=O)COC(=O)*)OC(=O)*

$$$$