Mol:FLNAALNM0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3974    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3972    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8447   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8447   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    1.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7546    2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545    2.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3972   -0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117   -0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527    0.5227    0.0000 O   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
 10 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.3972   -0.1843
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.7546     2.099
S  SKP  8
ID	FLNAALNM0001
KNApSAcK_ID	C00010207
NAME	Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin
CAS_RN	53290-13-2
FORMULA	C18H14O7
EXACTMASS	342.073952802
AVERAGEMASS	342.29956000000004
SMILES	c(c(C(c32)=CC(=O)Oc2cc(c(c3O)C=O)OC)1)(OC)cc(O)cc1
M  END

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