Mol:EEL0126

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

14 13  0  0  0  0  0  0  0  0999 V2000 
  -1.4149   -1.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5899   -1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1710   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6401    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2211    0.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6149   -1.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5857   -0.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8383    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5529    0.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2673    1.3704    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   1.3155   -0.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3155    0.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0430   -0.9587    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2673   -1.3704    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 
 8  5  1  0 
 9  8  2  0 
 9 10  1  0 
 6 11  1  0 
11 12  2  0 
11 13  1  0 
 1 14  1  0 

A 14 Gal S SKP 6 AUTODRAW FALSE ID EEL0126 FORMULA C7H10O4R1R2 EXACTMASS 250.04120880799996 AVERAGEMASS 250.1352 SMILES COCC([H])(COC=C[R1])OC(=O)[R2] M END