Ketcher 05151511332D 1   1.00000     0.00000     0

 15 14  0     0  0            999 V2000
   14.7460  -20.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799  -19.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0139  -20.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6118  -19.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480  -19.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799  -18.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4780  -20.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2820  -20.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7460  -18.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4780  -21.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2820  -21.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7460  -17.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6118  -18.8551    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.4159  -19.8551    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   17.3440  -19.8551    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:85743

> <NAME>
triacylglycerol 54:2

> <DEFINITION>
A triglyceride in which the three acyl groups contain a total of 54 carbons and 2 double bonds.

> <STAR>
3

> <SYNONYM>
TG(54:2); TAG(54:2)

> <FORMULA>
C57H106O6

> <MASS>
887.4479

> <MONOISOTOPIC_MASS>
886.79894

> <CHARGE>
0

> <SMILES>
[*]C(=O)OCC(COC([*])=O)OC([*])=O

$$$$