Mol:FL6F1CNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0624   -0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.4578    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3935   -0.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8528    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107    2.3187    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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 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    1.5693    1.4214
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   -2.4197    0.1609
S  SKP  8
ID	FL6F1CNS0004
KNApSAcK_ID	C00008761
NAME	4'-Hydroxy-7,3'-dimethoxyflavan
CAS_RN	113236-00-3
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c3)cc(O1)c(c3)CCC1c(c2)cc(OC)c(O)c2
M  END

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