Mol:FL6FALNM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.1833    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1833   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0707   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0707    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5144   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0419   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0419    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.5144    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1650    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7319    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7319    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1650    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3546    0.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7394    0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3546    1.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0312    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7394   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5405    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0405    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  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  0  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 
 13 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 14  1  0  0  0  0 
 16 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.5405      0.77 
S  SKP  8 
ID	FL6FALNM0001 
KNApSAcK_ID	C00008777 
NAME	5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan 
CAS_RN	75679-61-7 
FORMULA	C19H20O6 
EXACTMASS	344.125988372 
AVERAGEMASS	344.3585 
SMILES	c(c(C(O3)CCc(c4O)c3c(c(c4C)OC)C)2)(O)cc(c1c2)OCO1 
M  END