Mol:LBF20407LX01

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

25 24  0  0  0  0  0  0  0  0999 V2000 
   2.4994    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2141    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9285    0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2141   -0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7848    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0703    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3558    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3586    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0731    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7851    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2140    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9285    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9285   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2140   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7851   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0731   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3611   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3509   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0629   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7748   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3586    1.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3558   -0.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7851   -1.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  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 
14 15  1  0 
15 16  2  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 
 8 23  1  1 
 7 24  1  6 
17 25  1  6 

S SKP 6 ID LBF20407LX01 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CCC(C=CC=CC=CC=CC(O)C(O)CCCC(O)=O)O)CC AUTODRAW FALSE M END