Mol:LBF20107PG23

(Redirected from Mol:LBF20205PG01)


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

25 26  0  0  0  0  0  0  0  0999 V2000 
   2.2173    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9321    0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6465    0.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9321    1.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5027    0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7881    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0737    0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6409    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3529    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0650    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8496    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3346   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8496   -0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0650   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3504   -0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6360   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0761   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7881   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5002   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2122   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9243   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6363   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0761   -1.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6465    0.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6465   -0.4575    0.0000 O   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 
10  9  1  6 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 10  1  0 
14 15  1  1 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
17 23  1  6 
11 24  1  6 
13 25  1  6 
24 25  1  0 

S SKP 6 ID LBF20107PG23 FORMULA C18H30O5 EXACTMASS 326.20932407 AVERAGEMASS 326.4278 SMILES [C@@H]([C@@H]2CCCCCCC(O)=O)(O1)C[C@H]([C@@H]2C=C[C@H](O)CCC)O1 AUTODRAW FALSE M END