View source for Mol:LBGPGccp:18000SC01:12000SC01:YS3HOe014:01

 
 
 
 47 46  0  0  0  0  0  0  0  0999 V2000 
    1.7102   -6.1205    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7102   -5.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7102   -6.9455    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
    2.6516   -6.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0147   -6.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8396   -6.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4764   -6.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6736   -5.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0147   -3.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8397   -3.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8397   -2.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1253   -2.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5541   -2.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1416   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8560   -0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4436   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1580    0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7455    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4599    1.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0475    2.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7619    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3494    3.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0638    3.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6514    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3658    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9533    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6677    5.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2553    6.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9697    6.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4764   -4.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3014   -4.4706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4764   -5.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1908   -4.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0147   -4.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6997   -4.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2872   -3.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0016   -3.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7160   -3.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0016   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8266   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8266   -1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6515   -1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6515   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4764   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4764    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3014    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3014   -0.6414    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 
  4  7  1  0 
  9 10  1  0 
 10 11  1  0 
 11 12  2  0 
 11 13  1  0 
 13 14  1  0 
 14 15  1  0 
 15 16  1  0 
 16 17  1  0 
 17 18  1  0 
 18 19  1  0 
 19 20  1  0 
 20 21  2  0 
 21 22  1  0 
 22 23  1  0 
 23 24  1  0 
 24 25  1  0 
 25 26  1  0 
 26 27  1  0 
 27 28  1  0 
 28 29  1  0 
 30 31  1  0 
  7 32  1  0 
 30 32  1  0 
 32 33  1  0 
  5 34  1  0 
  9 34  1  0 
  8 46  1  0 
 34 35  1  0 
 35 36  1  0 
 36 37  1  0 
 37 38  2  0 
 37 39  1  0 
 39 40  1  0 
 40 41  1  0 
 41 42  1  0 
 42 43  1  0 
 43 44  1  0 
 44 45  1  0 
 45 46  1  0 
 46 47  1  0 
M  CHG  1   3  -1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1 15   9  10  11  12  13  14  15  16  17  18  19  20  21  22  23 
M  SAL   1  6  24  25  26  27  28  29 
M  SBL   1  1  47 
M  SMT   1 CH2OCO(CH2)7CH=CH(CH2)7CH3 
M  SBV   1  47   -4.3161    3.4906 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  29 
M  SMT   2 CH2OH 
M  SBV   2  29    0.0000   -0.8250 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  32  33 
M  SBL   3  2  28  29 
M  SMT   3 CHOH 
M  SBV   3  28    0.0000   -0.8248 
M  SBV   3  29    0.0000    0.8250 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4 14  34  35  36  37  38  39  40  41  42  43  44  45  46  47 
M  SBL   4  3  31  32  33 
M  SMT   4 CH3CH(CH2)8COOH^C 
M  SBV   4  31    0.0000   -1.4649 
M  SBV   4  32    0.0000    1.3485 
M  SBV   4  33    0.6278   -5.6641 
S  SKP  5 
ID	LBGPGccp:18000SC01:12000SC01:YS3HOe014:01 
FORMULA	C36H68O10P 
EXACTMASS	691.455009906 
AVERAGEMASS	691.892881 
SMILES	C(CCCC(=O)OCC(OOC(=C)CCCCCCCC(C)C)COP([O-1])(=O)OCC(O)CO)CCCC=CCCCCCCCC 
M  END