Mol:LBF20503LT01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   3.6189    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3336    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0480    0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3336   -0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9043    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1898    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4778    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7658    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0592    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7736    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4856    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1976    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9096    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6216    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3336    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0480    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0480   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3336   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6191   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7941   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0796   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3676   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4778   -0.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6216   -0.0339    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  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  2  0 
13 14  1  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 
 7 23  1  6 
14 24  1  6 

S SKP 6 ID LBF20503LT01 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC=CC[C@H](C=CC=CC=C[C@H](CCCC(O)=O)O)O)=CCC AUTODRAW FALSE M END