Mol:LBF20207PG51

Copyright: ARM project http://www.metabolome.jp/

25 26  0  0  0  0  0  0  0  0999 V2000 
  -2.2727   -0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2727   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0601   -2.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5466   -1.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0601   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4492   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7348   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0203   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6940   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4085   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1228   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8346   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5466   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0203   -3.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3150   -2.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7862   -0.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2727    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0601    0.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3384    1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3761    2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3761    3.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0906    1.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0529    2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7673    1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7673    1.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  1  1  0 
 2  6  1  1 
 6  7  2  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 
 8 14  1  6 
 3 15  1  6 
 1 16  1  6 
16 17  1  0 
17 18  1  0 
 5 18  1  6 
19 20  1  0 
20 21  2  0 
20 22  1  0 
19 23  1  0 
23 24  1  0 
24 25  1  0 
25 17  2  0 

S SKP 6 ID LBF20207PG51 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](OC(C2)=CCCCC(O)=O)1)CC AUTODRAW FALSE M END