Mol:LBF20303PG06


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

25 26  0  0  0  0  0  0  0  0999 V2000 
  -2.3306   -0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3306   -1.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1180   -2.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6044   -1.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1180   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5071   -2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7927   -1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0783   -2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6360   -1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3505   -2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0783   -3.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3729   -2.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8441   -0.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3306    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1180    0.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3963    1.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3181    2.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3181    3.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0326    1.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1108    2.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8252    1.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8252    1.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1755   -2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8900   -1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6044   -2.3044    0.0000 C   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 
 5  1  1  0 
 2  6  1  1 
 6  7  2  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
 8 11  1  6 
 3 12  1  6 
 1 13  1  6 
13 14  1  0 
14 15  1  0 
 5 15  1  6 
16 17  1  0 
17 18  2  0 
17 19  1  0 
16 20  1  0 
20 21  1  0 
21 22  1  0 
22 14  2  0 
10 23  2  0 
23 24  1  0 
24 25  1  0 

S SKP 6 ID LBF20403PG06 FORMULA C20H30O5 EXACTMASS 350.20932407 AVERAGEMASS 350.4492 SMILES C(=CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@@H](C2)C=CCCC(O)=O)1)CC AUTODRAW FALSE M END