22 21  0  0  0  0  0  0  0  0999 V2000
   35.1133  -28.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8213  -28.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8100  -26.3048    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.2895  -26.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8213  -24.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9918  -26.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1133  -24.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9804  -24.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6999  -26.3333    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   36.4052  -24.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3994  -23.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.7027  -24.6298    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   36.3524  -28.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5649  -28.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7773  -28.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9897  -28.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2022  -28.7700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   38.7773  -30.1700    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   39.9897  -26.6701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4250  -30.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7773  -31.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3173  -30.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
  6  8  2  0     0  0
  6  9  1  0     0  0
  7 10  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
  1 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
 16 19  2  0     0  0
 18 20  1  0     0  0
 18 21  1  0     0  0
 18 22  1  0     0  0
M  CHG  2  17  -1  18   1
M  END
> <ID>
CHEBI:81558

> <NAME>
Diacylglyceryl-N,N,N-trimethylhomoserine

> <STAR>
2

> <SYNONYM>
DGTS

> <FORMULA>
C12H19NO7

> <MASS>
289.28180

> <MONOISOTOPIC_MASS>
289.11615

> <CHARGE>
0

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

> <KEGG_COMPOUND_ACCESSION>
C18169

$$$$