Mol:EEL0134


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

45 44  0  0  0  0  0  0  0  0999 V2000 
  -0.8527   -5.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3699   -4.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9818   -3.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4164   -3.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0282   -2.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2536   -4.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2806   -3.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5193   -3.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3663   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2170   -1.3913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5193   -2.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0883   -5.6691    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0883   -4.9048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6760   -5.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0883   -6.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0308   -1.5847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4655   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0774   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5120    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1032    1.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3491   -0.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3761    0.2809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3905   -6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1050   -5.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8194   -6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2311   -4.1599    0.0000 R4  0  0  0  0  0  0  0  0  0  0  0  0 
   0.4306   -2.1882    0.0000 R3  0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0065    1.6734    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0065    2.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0065    0.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8315    1.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4640    3.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0993    3.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5339    4.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1457    5.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3711    3.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3981    4.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5982    3.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4838    5.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4838    6.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5982    4.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8864    3.4232    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6663    5.1887    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   2.1050   -4.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5339   -5.6691    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  1  0 
 4  5  1  0 
 3  7  1  0 
 3  6  1  0 
 6  8  1  0 
 5  9  1  0 
 9 10  1  0 
 8 11  2  0 
 1 12  1  0 
12 13  2  0 
12 14  1  0 
12 15  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
18 22  1  0 
18 21  1  0 
 9 16  1  0 
14 23  1  0 
23 24  1  0 
24 25  1  0 
 8 26  1  0 
 9 27  1  0 
28 29  2  0 
28 30  1  0 
28 20  1  0 
28 31  1  0 
31 32  1  0 
33 34  1  0 
34 35  1  0 
33 37  1  0 
33 36  1  0 
36 38  1  0 
35 39  1  0 
39 40  2  0 
38 41  2  0 
38 42  1  0 
39 43  1  0 
32 33  1  0 
24 44  1  0 
25 45  1  0 

S SKP 6 AUTODRAW FALSE ID EEL0134 FORMULA EXACTMASS AVERAGEMASS SMILES M END