Mol:LBF18208HP01


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

27 26  0  0  0  0  0  0  0  0999 V2000 
   4.7471   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4618   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1762   -1.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4618   -0.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0325   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3180   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6036   -1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8891   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1771   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4651   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2469   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9589   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7839   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983   -1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3233   -1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0378   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7523   -1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4643   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1763   -1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8883   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2469   -0.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4676   -0.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4676    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4676    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2469    1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1821    1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8883   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
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11 21  1  0 
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23 26  1  0 
 3 27  1  0 

S SKP 6 ID LBF18208HP01 FORMULA C23H42O4 EXACTMASS 382.30830983199996 AVERAGEMASS 382.57718 SMILES C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC AUTODRAW FALSE M END