null
  CDK     0224162204
null
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.0202    2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681    0.7481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3819   -0.0724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1356   -0.4080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6876    0.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751    0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3614    1.7401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071   -1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940   -1.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -2.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -1.4699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -1.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9402    2.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  3  1  6  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  4  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  6 10  1  1  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
  5 14  1  1  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:95177

> <NAME>
1-[(5R,6S,6aR)-6-[3-(dimethylamino)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

> <STAR>
2

> <FORMULA>
C14H27NO6

> <MASS>
305.368

> <MONOISOTOPIC_MASS>
305.18384

> <CHARGE>
0

> <SMILES>
CC1(O[C@@H]2[C@H]([C@H](OC2O1)C(CO)O)OCCCN(C)C)C

> <INCHI>
InChI=1S/C14H27NO6/c1-14(2)20-12-11(18-7-5-6-15(3)4)10(9(17)8-16)19-13(12)21-14/h9-13,16-17H,5-8H2,1-4H3/t9?,10-,11+,12-,13?/m1/s1

> <INCHIKEY>
YXBQLONCIPUQKO-VFIJVLHUSA-N

> <LINCS_ACCESSION>
LSM-6458

$$$$