Ketcher 06171515292D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   11.7608   -6.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4929   -6.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -6.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8948   -8.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3589   -6.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3589   -5.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6268   -6.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6268   -5.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6268   -8.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608   -7.7837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608   -8.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608   -4.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608   -3.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8949   -5.2838    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:86065

> <NAME>
O-dodecenoylcarnitine

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

> <STAR>
3

> <SYNONYM>
O-dodecenoylcarnitines; dodecenoylcarnitines; dodecenoylcarnitine

> <FORMULA>
C19H35NO4

> <MASS>
341.48550

> <MONOISOTOPIC_MASS>
341.25661

> <CHARGE>
0

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

$$$$