Mol:LBF22603SC01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   0.4175    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2970    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1295    0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9545    0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6689    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3809    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0929    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.8049    0.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0929    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1220    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8365    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5510    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3760    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0904    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8049    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8049   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0904   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3760   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5510   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8365   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1245   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2995   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4150   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1270   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 1  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 7  9  2  0 
 2 10  2  0 
10 11  1  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
20 21  1  0 
21 22  2  0 
22 23  1  0 
23 24  1  0 

S SKP 6 ID LBF22603SC01 FORMULA C22H32O2 EXACTMASS 328.240230268 AVERAGEMASS 328.48828000000003 SMILES C(CCC(O)=O)=CCC=CCC=CCC=CCC=CCC=CCC AUTODRAW FALSE M END