Mol:LBF20503HP02

Revision as of 08:36, 3 February 2011 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

24 23  0  0  0  0  0  0  0  0999 V2000 
  -2.6075    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3219    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0364    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0364   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3219   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6075   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8930   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7825    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0680    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3560    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4690    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1835    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1835    1.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8979    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1810   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4690   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3560   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0705   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7825   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6075   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3219   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0364   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8930   -1.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1785   -1.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  2  0 
 6  7  1  0 
 1  8  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  2  0 
12 14  1  0 
 7 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
20 21  1  0 
21 22  1  0 
 7 23  1  6 
23 24  1  0 

S SKP 6 ID LBF20503HP02 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC=CCC(OO)C=CC=CCC=CCCCC(O)=O)=CCC AUTODRAW FALSE M END