Mol:LBF20403PG04

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

24 24  0  0  0  0  0  0  0  0999 V2000 
  -0.8485    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5630    1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3348    0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3348   -0.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1222   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6085    0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1222    0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5031   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7886   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0744   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0209    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6960    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4105    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1248    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8393    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5535    1.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8393    0.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6401   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3546   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0744   -1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3772    1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1796   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8941   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6085   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  0 
 8  9  2  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
15 17  2  0 
10 18  1  0 
18 19  1  0 
10 20  1  6 
 7 21  2  0 
19 22  2  0 
22 23  1  0 
23 24  1  0 

S SKP 6 ID LBF20403PG04 FORMULA C20H28O4 EXACTMASS 332.19875938399997 AVERAGEMASS 332.43392 SMILES C(=CC[C@H](O)C=CC(=C1CC=CCCCC(O)=O)CCC(=O)1)CC AUTODRAW FALSE M END