24867650
  CDK     1019211605

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.1207   -2.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    0.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407    0.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713    1.6707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1503    2.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1207   -1.7631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1207   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3361   -0.6832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3361   -2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9013   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9013   -2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512   -1.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3828   -1.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0811    0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    1.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0193    1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707    2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1684    2.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2 14  1  0  0  0  0 
  2 16  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 16  2  0  0  0  0 
  5 18  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 14  1  1  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 13  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
M  CHG  1   1  -1
M  CHG  1   6   1
M  END
> <ID>
CHEBI:182454

> <NAME>
[(1R)-4-Oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

> <STAR>
2

> <IUPAC_NAME>
[(1R)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

> <FORMULA>
C15H27NO5

> <MASS>
301.383

> <MONOISOTOPIC_MASS>
301.18892

> <CHARGE>
0

> <SMILES>
[O-][N+]12C([C@@H](CC1)COC(=O)C(O)(C(C)C)C(O)C)CCC2

> <INCHI>
InChI=1S/C15H27NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-6-8-16(20)7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13?,15?,16?/m0/s1

> <INCHIKEY>
DLNWZIVYKQXLTN-PWOPNMPTSA-N

$$$$