Mol:LBF20406CV10

Copyright: ARM project http://www.metabolome.jp/
36 36  0  0  0  0  0  0  0  0999 V2000 
  -1.2079    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9224    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6345    1.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3465    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1311    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6160    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1311   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3465    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6320   -0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9174    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0924    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3779   -0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3366    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0486   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7606    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4726   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3861    1.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5600   -0.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9767   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1902   -2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1798   -1.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4934    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4934    0.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2211    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9355    0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6500    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6500    2.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3645    0.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0790    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2210    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9355    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2210    0.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1871    0.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9015   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6160    0.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9015   -1.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  2  0 
 2  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  2  0 
 7  8  1  0 
 8  4  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 5 17  2  0 
 8 18  1  1 
18 19  1  0 
19 20  1  0 
19 21  2  0 
 1 22  1  0 
22 23  1  1 
22 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  2  0 
26 28  1  0 
28 29  1  0 
23 30  1  0 
30 31  1  0 
30 32  2  0 
16 33  1  0 
33 34  1  0 
34 35  1  0 
34 36  2  0
S SKP 6 ID LBF20406CV10 FORMULA C27H36O9 EXACTMASS 504.23593274999996 AVERAGEMASS 504.56934 SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O AUTODRAW FALSE M END
Mol:LBF20406CV10

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