Ketcher 07151511302D 1   1.00000     0.00000     0

 14 13  0     1  0            999 V2000
   10.5611  -20.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2932  -20.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0253  -20.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6951  -21.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1592  -19.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1592  -18.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4271  -19.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4271  -18.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4271  -21.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5611  -21.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5611  -22.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5611  -18.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5611  -17.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952  -18.5058    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0     0  0
 10  1  1  0     0  0
  2  7  1  0     0  0
  5  2  1  0     0  0
  4 10  1  0     0  0
  3  5  1  0     0  0
  5  6  2  0     0  0
  7  8  1  0     0  0
 10  9  1  0     0  0
 10 11  1  0     0  0
  8 12  1  0     0  0
 12 13  2  0     0  0
 12 14  1  0     0  0
M  CHG  2   3  -1  10   1
M  END
> <ID>
CHEBI:86480

> <NAME>
O-octadecadienoylcarnitine

> <DEFINITION>
An O-acylcarnitine in which the acyl group specified is octadecadienoyl.

> <STAR>
3

> <SYNONYM>
octadecadienoylcarnitines; octadecadienoylcarnitine; O-octadecadienoylcarnitines

> <FORMULA>
C25H45NO4

> <MASS>
423.62910

> <MONOISOTOPIC_MASS>
423.33486

> <CHARGE>
0

> <SMILES>
C[N+](C)(C)CC(CC([O-])=O)OC([*])=O

$$$$