Mol:FL63ACNI0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.0589   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0589   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5204   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0181   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0181   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5204    0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5566   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0952   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0952   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5566    0.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5747    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1194   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6641    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6641    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1194    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5747    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5171   -1.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2083    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5204   -1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1194    1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5972   -1.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1354   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6725   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2083   -0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6725   -1.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5972    0.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  8 17  1  1  0  0  0 
 14 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  1 26  1  0  0  0  0 
S  SKP  8 
ID	FL63ACNI0001 
KNApSAcK_ID	C00008909 
NAME	6-Prenylcatechin 
CAS_RN	115532-13-3 
FORMULA	C20H22O6 
EXACTMASS	358.141638436 
AVERAGEMASS	358.38508 
SMILES	C(c(c(O)3)c(O)cc(c31)OC(c(c2)cc(c(O)c2)O)C(O)C1)C=C(C)C 
M  END