Ketcher 05151509322D 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:85727

> <NAME>
triacylglycerol 49:2

> <DEFINITION>
A triglyceride in which the three acyl groups contain a total of 49 carbons and 2 double bonds.

> <STAR>
3

> <SYNONYM>
TG(49:2); TAG(49:2)

> <FORMULA>
C52H96O6

> <MASS>
817.31504

> <MONOISOTOPIC_MASS>
816.72069

> <CHARGE>
0

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

$$$$