Mol:LBF20303PG05

(Redirected from Mol:LBF20403PG05)


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

25 25  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 
  -3.6086    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 
  -0.0743   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0208    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6961    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4106    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1249    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8394    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5537    1.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8394    0.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6402   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3547   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3770    1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0743   -1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1797   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8942   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6086   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3771   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 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 
 7 20  1  6 
10 21  1  6 
19 22  2  0 
22 23  1  0 
23 24  1  0 
 5 25  2  0 

S SKP 6 ID LBF20403PG05 FORMULA C20H30O5 EXACTMASS 350.20932407 AVERAGEMASS 350.4492 SMILES C(=CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H]1O)=O)CC AUTODRAW FALSE M END