Ketcher 05221511392D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
    9.1194   -6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9854   -5.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2533   -5.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3872   -6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213   -5.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2533   -4.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194   -4.0414    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    5.6552   -6.0414    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.8513   -6.0414    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  3  6  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  7  6  1  0     0  0
  5  8  1  0     0  0
  2  9  1  0     0  0
M  END
> <ID>
CHEBI:85859

> <NAME>
diacylglycerol 42:10

> <DEFINITION>
A diglyceride in which the two acyl groups contain a total of 42 carbons and 10 double bonds.

> <STAR>
3

> <SYNONYM>
diacylglycerol (42:10); DG(42:10)

> <FORMULA>
C45H68O5

> <MASS>
689.0184

> <MONOISOTOPIC_MASS>
688.50668

> <CHARGE>
0

> <SMILES>
[*]OCC(CO[*])O[*]

$$$$