Mol:LBF20503HP06

(Redirected from Mol:LBF21503HO03)


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   1.7820   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2111   -0.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    1.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0673    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3529   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3591    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1841    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8986   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6131    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4381    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9255   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4095   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5845   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8700   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1555   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3305   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3839   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0984   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9234   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6379   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3524   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4381    1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7236    1.4334    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  2  0 
 8  9  1  0 
 9 10  2  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 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 
 3 23  1  0 
11 24  1  0 
24 25  1  0 

S SKP 6 ID LBF20503HP06 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC AUTODRAW FALSE M END