Mol:LBF18109BC01

(Redirected from Mol:LBF20109BC01)


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   5.0442    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7588    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7588    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3295    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9006    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4741    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0501    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7749    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4893   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2013    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9133   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6253    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0493    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7613   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4733    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0442   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3297   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6152   -0.8250    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 
 1 21  1  0 
21 22  1  0 
22 23  1  0 

S SKP 6 ID LBF18109BC01 FORMULA C21H40O2 EXACTMASS 324.302830524 AVERAGEMASS 324.5411 SMILES C(CCCCC=CCCCCCCC(CCC)C(O)=O)CCC AUTODRAW FALSE M END