Mol:LBF20406CV11

Copyright: ARM project http://www.metabolome.jp/
36 36  0  0  0  0  0  0  0  0999 V2000 
  -2.6395   -0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3801   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3801   -1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1647   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6497   -0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1647   -0.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6395    0.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9275    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9275    1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5956   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8812   -1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0562   -1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3417   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3703   -1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0823   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7943   -1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5063   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5936   -2.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0103   -2.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2238   -3.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2134   -2.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4196    0.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6384    2.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2166    2.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5069    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2076    2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9220    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6365    2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2076    3.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6384    3.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9239    3.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3529    3.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2207   -1.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9353   -1.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6497   -1.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9353   -2.6678    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  1  0 
 4  5  2  0 
 5  6  1  0 
 6  2  1  0 
 1  7  1  0 
 7  8  2  0 
 8  9  1  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
 3 10  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
 3 18  1  1 
18 19  1  0 
19 20  1  0 
19 21  2  0 
 6 22  2  0 
 9 23  1  6 
 9 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
26 29  2  0 
23 30  1  0 
30 31  2  0 
30 32  1  0 
17 33  1  0 
33 34  1  0 
34 35  1  0 
34 36  2  0
S SKP 6 ID LBF20406CV11 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:LBF20406CV11

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