Mol:LBF18109MO02


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   5.0442   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7588    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4733   -0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7588    1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3295    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6151   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9006    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1861   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4741    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7621   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0501    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7749    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4893   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2013    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9133   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6253    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0493    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7613   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4733    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4893   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2013   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9133   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2013    1.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7773   -1.2361    0.0000 C   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  1  0 
10 11  1  0 
11 12  2  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 
13 21  1  0 
15 23  1  0 
14 24  1  0 
21 25  1  0 
23 22  1  0 

S SKP 6 ID LBF18109MO02 FORMULA C20H38O5 EXACTMASS 358.271924326 AVERAGEMASS 358.51272 SMILES C(CCC(C(C(OC)C=CCCCCCCCC(O)=O)O)OC)CC AUTODRAW FALSE M END