Mol:EEL0090

Copyright: ARM project http://www.metabolome.jp/
37 36  0  0  0  0  0  0  0  0999 V2000 
  -6.1214   -1.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5769   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1888    0.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6234    1.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.2352    1.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4604    0.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4875    0.8440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6874    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5732    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8087    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6874    1.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3571   -1.4548    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3571   -0.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5927   -1.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3571   -2.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0942    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3798    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6652    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9506    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2362    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5217    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1929    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9073    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6219    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3364    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0509    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7654    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4800    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1945    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9756    0.0339    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8782   -1.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1637   -1.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1637   -0.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4492   -1.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7347   -1.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9089    1.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6234    2.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 3  7  1  0 
 3  6  1  0 
 6  8  1  0 
 5  9  1  0 
 9 10  2  0 
 8 11  2  0 
 1 12  1  0 
12 13  2  0 
12 14  1  0 
12 15  1  0 
10 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
28 29  1  0 
 8 30  1  0 
14 31  1  0 
31 32  1  0 
32 33  1  0 
32 34  1  0 
34 35  1  0 
29 36  1  0 
36 37  1  0
S SKP 6 AUTODRAW FALSE ID EEL0090 FORMULA C25H48O9PR EXACTMASS 553.964694644 AVERAGEMASS 554.278081 SMILES CCCCCCCCCCCCCCCCC=COCC([H])(OC(=O)[R])COP(O)(=O)OCC(O)CO M END
Mol:EEL0090

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