Mol:FL1DA9NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.0176    0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096    0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636    0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365    0.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559   -1.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -1.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749    1.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    1.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559    0.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    0.3973    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
  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 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  21
M  SMT   2  OCH3
M  SVB   2 21   -0.3559    0.8098
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  19
M  SMT   1  OCH3
M  SVB   1 19   -2.3749    1.1088
S  SKP  8
ID	FL1DA9NS0004
KNApSAcK_ID	C00007931
NAME	Dihydroflavokawin B
CAS_RN	3791-76-2
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c1)cc(OC)c(C(=O)CCc(c2)cccc2)c(O)1
M  END

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