131770386
  CDK     0602212311

 20 19  0  0  0  0  0  0  0  0999 V2000
    5.9370    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6679   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 16  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3 16  2  0  0  0  0 
  4 18  1  0  0  0  0 
  5 18  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 12  1  0  0  0  0 
 12 18  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
M  CHG  1   4  -1
M  CHG  1   6   1
M  END
> <ID>
CHEBI:174063

> <NAME>
3-hydroxyhexanoyl carnitine

> <STAR>
2

> <IUPAC_NAME>
3-(3-hydroxyheptanoyloxy)-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C14H27NO5

> <MASS>
289.372

> <MONOISOTOPIC_MASS>
289.18892

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C14H27NO5/c1-5-6-7-11(16)8-14(19)20-12(9-13(17)18)10-15(2,3)4/h11-12,16H,5-10H2,1-4H3

> <INCHIKEY>
YWSDGPGKVSDFES-UHFFFAOYSA-N

$$$$