Mol:LBF18109MO01


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

23 23  0  0  0  0  0  0  0  0999 V2000 
   5.0616   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7787    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4957   -0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7787    1.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3445    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6276   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9106    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1936   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4792    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7647   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0503    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7776    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4944   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2089    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9234   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6378    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3523   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0667    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7812   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4957    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9234    0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4944   -0.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7800   -1.2404    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 
15 21  1  0 
14 21  1  0 
13 22  1  0 
22 23  1  0 

S SKP 6 ID LBF18109MO01 FORMULA C19H34O4 EXACTMASS 326.24570957599997 AVERAGEMASS 326.47086 SMILES C(C(O1)C1CCCCC)(OC)C=CCCCCCCCC(O)=O AUTODRAW FALSE M END