Mol:EEL0127

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

15 14  0  0  0  0  0  0  0  0999 V2000 
  -0.8374   -1.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0124   -1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4065   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0626    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3564    0.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1924   -1.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1632   -0.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4158    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1304    0.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8448    1.3704    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   1.8930   -0.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8930    0.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6205   -0.9587    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9786   -1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8448   -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 
14 15  1  0

A 14 Gal A 15 Glc S SKP 6 AUTODRAW FALSE ID EEL0127 FORMULA C8H12O4R1R2 EXACTMASS 264.05685887199996 AVERAGEMASS 264.16178 SMILES CCOCC([H])(COC=C[R1])OC(=O)[R2] M END

Mol:EEL0127

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