Mol:FL6FDBNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4197    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    0.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7507    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2998   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    1.6016    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
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  21  22
M  SBL   3  1  23
M  SMT   3  OCH3
M  SVB   3 23   -2.7769    0.7355
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  21
M  SMT   2  OCH3
M  SVB   2 21    2.0624    1.4197
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  19
M  SMT   1  OCH3
M  SVB   1 19   -2.2998   -1.0073
S  SKP  8
ID	FL6FDBNS0001
KNApSAcK_ID	C00008757
NAME	5,7,4'-Trimethoxyflavan
CAS_RN	4225-32-5
FORMULA	C18H20O4
EXACTMASS	300.136159128
AVERAGEMASS	300.349
SMILES	c(C(C3)Oc(c2C3)cc(OC)cc2OC)(c1)ccc(OC)c1
M  END

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