Mol:FL6FBBNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.3202    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2003   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
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  SBV   1 20   -5.6680    2.8571
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  SBV   2 22   -6.6713    2.3693
S  SKP  8
ID	FL6FBBNS0001
KNApSAcK_ID	C00008756
NAME	7-Hydroxy-5,4'-dimethoxyflavan
CAS_RN	103461-94-5
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(OC)cc(O)1
M  END

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