Mol:FL6FA9NC0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 44  0  0  0  0  0  0  0  0999 V2000
    0.2212   -2.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777   -1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777   -1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3544   -2.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -1.0222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3544   -0.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -0.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    0.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227    1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227    1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060    1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060    1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374    0.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245    1.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1203    1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1203   -0.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    2.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    2.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    1.1051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499   -2.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645   -2.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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  3  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
  9 11  1  6  0  0  0
  5 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  0  0  0  0
 22 36  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  1  0  0  0  0
  1 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  39  40
M  SBL   2  1  43
M  SMT   2  OCH3
M  SVB   2 43   -0.2499   -2.1499
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  37  38
M  SBL   1  1  41
M  SMT   1  OCH3
M  SVB   1 41    0.3292    0.8989
S  SKP  8
ID	FL6FA9NC0001
KNApSAcK_ID	C00008791
NAME	8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol
CAS_RN	61136-14-9
FORMULA	C33H30O7
EXACTMASS	538.199153314
AVERAGEMASS	538.5871
SMILES	c(c5)(c(c(OC)c(C)c5O)C=Cc(c32)c(O)cc(OC)c2CC[C@@H](c(c4)cccc4)O3)OC(=O)c(c1)cccc1
M  END

</pre>