Mol:LBG00kck:18000SC01:YS2CA0001:CBZ1Sk013


34 34  0  0  0  0  0  0  0  0999 V2000 
   1.4389    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4486    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4486    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2639    1.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2736    3.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6236    2.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3952    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0889    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9139    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3264    2.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1514    2.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5639    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1514    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3264    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6139    1.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2014    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6139    3.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0986    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5111    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0986    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2736    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8611    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0361    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6236    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2014    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6139   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4389   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8514   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6764   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0889   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9139   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3264   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1514   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5639   -3.2151    0.0000 C   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 
 8  4  1  0 
 8  9  1  0 
 9 10  2  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  2  0 
 9 14  1  0 
 6 16  1  0 
15 16  1  0 
16 17  2  0 
 5 18  1  0 
 7 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 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
28 29  1  0 
29 30  1  0 
30 31  1  0 
31 32  1  0 
32 33  1  0 
33 34  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 15 16 17 M SBL 1 1 14 M SMT 1 CH3C^O M SBV 1 14 0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 M SAL 2 2 33 34 M SBL 2 2 17 18 M SMT 2 (CH2)17 M SBV 2 17 -0.8250 0.0000 M SBV 2 18 1.2966 0.0000 S SKP 5 ID LBG00kck:18000SC01:YS2CA0001:CBZ1Sk013:01 FORMULA C30H52O4 EXACTMASS 476.38656015199996 AVERAGEMASS 476.73148 SMILES C(CCCCCCCCCCCC(OCC(OC(C)=O)COCc(c1)cccc1)C)CCCC M END