Mol:LBF20207PG72


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

27 27  0  0  0  0  0  0  0  0999 V2000 
  -1.1926    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9072    0.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6502    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6502   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4377   -0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9243    0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4377    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8266   -0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1122   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3977   -0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3648    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3521    0.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0666    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7810    0.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4953    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2098    0.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3168   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0312   -0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7457   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4574   -0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1695   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6927    1.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6926   -1.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1857   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9810   -1.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4953   -0.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9243    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 8  9  2  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
10 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
 7 22  1  6 
 5 23  1  6 
10 24  1  1 
10 25  1  6 
15 26  2  0 
16 27  1  0 

S SKP 6 ID LBF20207PG72 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES C[C@@](O)(C=C[C@@H]([C@@H]1O)[C@H]([C@H](C1)O)CC=CCCCC(=O)OC)CCCCC AUTODRAW FALSE M END