View source for Mol:LBGPCpkk:YB2PHb001:16000BC12:16000BC12 2

 
 
 
 57 56  0  0  0  0  0  0  0  0999 V2000 
   -2.6488    2.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8558    2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8558    1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2887    1.1998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8558   -1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7008   -1.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6748    1.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3288   -1.6370    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0723   -1.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3288   -0.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3288   -2.8528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
   -1.7919    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8223    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8223    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9726    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9726    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8771    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8771    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2090    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7459    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2798    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3591    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8959    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4328    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5472    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0462    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3909    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3403    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7561    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2249    3.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7561    2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7281    1.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8860    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8860    0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0363    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0363    0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8222    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8222    0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2726    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8094    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3433    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4229    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9597    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4966    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6107    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1100    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3271    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2765    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8196    1.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2887    1.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8196    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3722   -1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3722   -2.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1972   -2.4620    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.1972   -1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0222   -2.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1972   -3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  1  0 
  3  7  1  1 
  3  5  1  0 
  6  8  1  0 
  8  9  1  0 
  8 10  2  0 
  8 11  1  0 
  3  4  1  1 
  2  3  1  0 
  1  2  1  0 
 13 14  1  0 
 15 16  1  0 
 17 18  1  0 
 19 20  1  0 
 20 21  1  0 
 13 21  1  0 
 13 22  1  0 
 22 23  1  0 
 23 24  1  0 
 15 24  1  0 
 15 25  1  0 
 25 26  1  0 
 26 27  1  0 
 17 27  1  0 
 17 28  1  0 
 12 28  1  0 
 29 30  1  0 
 29 31  1  0 
 19 29  1  0 
 33 34  1  0 
 35 36  1  0 
 37 38  1  0 
 39 40  1  0 
 40 41  1  0 
 33 41  1  0 
 33 42  1  0 
 42 43  1  0 
 43 44  1  0 
 35 44  1  0 
 35 45  1  0 
 45 46  1  0 
 46 47  1  0 
 37 47  1  0 
 37 48  1  0 
 32 48  1  0 
 49 50  1  0 
 49 51  1  0 
 39 49  1  0 
  1 12  1  0 
  7 32  1  0 
  9 52  1  0 
 52 53  1  0 
 53 54  1  0 
 54 55  1  0 
 54 56  1  0 
 54 57  1  0 
M  CHG  2  11  -1  54   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  6  52  53  54  55  56  57 
M  SBL   1  1  51 
M  SMT   1 CH2CH2N+(CH3)3 
M  SBV   1  51   -1.2999    0.0000 
S  SKP  5 
ID	LBGPCpkk:YB2PHb001:16000BC12:16000BC12:02 
FORMULA	C48H100NO6P 
EXACTMASS	817.7288264470001 
AVERAGEMASS	818.284501 
SMILES	C(CCC(C)CCCC(C)CCOC(COP([O-1])(=O)OCC[N+1](C)(C)C)(COCCC(C)CCCC(CCCC(CCCC(C)C)C)C)[H])C(C)CCCC(C)C 
M  END