View source for Mol:LBG00kc-:18000SC01:YS2CA0001 2

 
 
 
 27 26  0  0  0  0  0  0  0  0999 V2000 
    2.0233    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0330    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0330    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8483    1.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8580    3.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2080    2.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9795    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6830    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0955    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6830    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8580    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4455    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6205    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2080    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3830    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.8545   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2670   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3295   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7420   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5670   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9795   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0295    1.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3830    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0295    3.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  0 
  1  4  1  0 
  3  5  1  0 
  2  6  1  0 
  5  8  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10 11  1  0 
 11 12  1  0 
 12 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  1  0 
 21 22  1  0 
 22 23  1  0 
 23 24  1  0 
  6 26  1  0 
 25 26  1  0 
 26 27  2  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1 15   8   9  10  11  12  13  14  15  16  17  18  19  20  21  22 
M  SAL   1  2  23  24 
M  SBL   1  2   6   7 
M  SMT   1 (CH2)17 
M  SBV   1   6   -0.8250    0.0000 
M  SBV   1   7    1.2966    0.0000 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  25  26  27 
M  SBL   2  1  24 
M  SMT   2 CH3C^O 
M  SBV   2  24    0.8250    0.0000 
S  SKP  5 
ID	LBG00kc-:18000SC01:YS2CA0001::02 
FORMULA	C23H46O4 
EXACTMASS	386.33960995999996 
AVERAGEMASS	386.60894 
SMILES	CCCCCCCCCCCCCCCCC(C)OCC(CO)OC(C)=O 
M  END