Mol:LBF20406CV03

Copyright: ARM project http://www.metabolome.jp/
32 32  0  0  0  0  0  0  0  0999 V2000 
  -0.4394    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1539    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8660    1.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5780    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3626    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8475    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3626   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5780    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8635   -0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1489    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3239    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3906   -0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1051    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8171   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5291    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2411   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6176    1.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7915   -0.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2082   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4217   -2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4113   -1.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2751    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2751    0.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9896    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7040    0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4185    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4185    2.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1330    0.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8475    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9895    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7040    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9895    0.8838    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  6 
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
S SKP 6 ID LBF20406CV03 FORMULA C25H34O7 EXACTMASS 446.230453442 AVERAGEMASS 446.53326000000004 SMILES O(C(C)=O)[C@@](C1=CC=C[C@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O AUTODRAW FALSE M END
Mol:LBF20406CV03

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