Mol:LBF20107PG20

(Redirected from Mol:LBF20307PG36)


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

26 27  0  0  0  0  0  0  0  0999 V2000 
   0.6846    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3993    1.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1138    1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0301    1.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7447    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2159   -0.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0005   -0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4855   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0005   -1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2159   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5013   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7869   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0748   -1.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6372   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3493   -1.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0614   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7734   -1.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4855   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0748   -2.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3994    2.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2554   -2.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7309    0.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2159    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0005    0.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4843    1.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4557    0.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10  6  1  0 
10 11  1  1 
11 12  2  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
13 19  1  6 
 2 20  2  0 
 9 21  1  6 
 6 22  1  6 
22 23  1  0 
23 24  1  1 
 7 24  1  1 
 5 25  1  0 
23 25  1  0 
23 26  1  6 

S SKP 6 ID LBF20107PG20 FORMULA C20H34O5 EXACTMASS 354.240624198 AVERAGEMASS 354.48096000000004 SMILES C(CC[C@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@@H](C2)CCCCC(O)=O)1)CC AUTODRAW FALSE M END