Mol:LBGPSccp:YS6CA0014:YS6CA0014:AS3PH0002


30 29  0  0  0  0  0  0  0  0999 V2000 
  -0.5050   -2.1212    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5050   -1.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5050   -2.9462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
   0.4364   -2.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2005   -2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3756   -2.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2005   -2.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2005    0.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3756    0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3756    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0900    1.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6611    1.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0736    2.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3592    3.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7717    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0572    4.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2612   -2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2612   -2.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5468   -3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1676   -2.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5468   -4.1835    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
  -2.2005   -0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4861   -0.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8985    0.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1841    0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4697    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1841    1.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3592    1.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3592    2.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4657    2.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  2  0 
 1  3  1  0 
 1  4  1  0 
 5  6  1  0 
 1  6  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
10 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 4 17  1  0 
 7 18  1  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
19 21  1  0 
 5 22  1  0 
 8 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  2  0 
25 27  1  0 
27 28  1  0 
28 29  1  0 
29 30  1  0 

M CHG 2 3 -1 21 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 8 9 10 11 12 13 14 15 16 M SBL 1 1 30 M SMT 1 CH2OCO(CH2)4CH3 M SBV 1 30 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 17 18 19 20 21 M SBL 2 2 14 15 M SMT 2 CH2CHCOO- M SBV 2 14 -0.8248 0.0000 M SBV 2 15 0.9393 -0.0001 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 9 22 23 24 25 26 27 28 29 30 M SBL 3 2 20 21 M SMT 3 CH3(CH2)4COOH^C M SBV 3 20 0.0000 -1.4649 M SBV 3 21 0.0000 1.3485 S SKP 5 ID LBGPSccp:YS6CA0014:YS6CA0014:AS3PH0002:01 FORMULA C18H32NO10P EXACTMASS 453.1763827589999 AVERAGEMASS 453.421181 SMILES CCCCCC(=O)OCC(OOC(=C)CCCC)COP([O-1])(=O)OCC(N)C([O-1])=O M END