Mol:FLNADANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2425    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    1.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997    1.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0996    2.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    0.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -0.0600    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.1259    0.3525
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -1.5997     2.099
S  SKP  8
ID	FLNADANS0001
KNApSAcK_ID	C00010200
NAME	4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin
CAS_RN	88126-44-7
FORMULA	C17H14O5
EXACTMASS	298.084123558
AVERAGEMASS	298.29006
SMILES	COc(c3)cc(O2)c(c(OC)3)C(=CC(=O)2)c(c1)ccc(O)c1
M  END

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