Mol:FL6FDANM0001

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FL6FDANM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.0624    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0624   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628    0.1167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.3935    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4197    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9197    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9425   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2281   -1.4198    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  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 
  6 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -1.9425   -1.0073 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.4197    0.7355 
S  SKP  8 
ID	FL6FDANM0001 
KNApSAcK_ID	C00008781 
NAME	4'-Hydroxy-5,7-dimethoxy-8-methylflavan 
CAS_RN	- 
FORMULA	C18H20O4 
EXACTMASS	300.136159128 
AVERAGEMASS	300.349 
SMILES	O([C@@H]1c(c3)ccc(O)c3)c(c2C)c(c(OC)cc2OC)CC1 
M  END
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