Mol:FL6FDANS0001

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FL6FDANS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  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 
    2.4197    1.4197    0.0000 O   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 
   -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  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 
 14 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.4197    0.7355 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -1.9425   -1.0073 
S  SKP  8 
ID	FL6FDANS0001 
KNApSAcK_ID	C00008755 
NAME	4'-Hydroxy-5,7-dimethoxyflavan 
CAS_RN	103963-45-7 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c1)cc(O2)c(CC[C@H]2c(c3)ccc(O)c3)c(OC)1 
M  END
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