Mol:FLIEACNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.0044    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2208    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    0.2159    0.0000 O   0  0  0  0  0  0  0  0  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  2  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
  9 20  2  0  0  0  0
  3 21  1  0  0  0  0
 15 22  1  0  0  0  0
S  SKP  8
ID	FLIEACNS0001
KNApSAcK_ID	C00009765
NAME	Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone
CAS_RN	6468-55-9
FORMULA	C15H8O7
EXACTMASS	300.02700261
AVERAGEMASS	300.21982
SMILES	Oc(c4)cc(O3)c(c(O)4)c(o1)c(C(=O)3)c(c2)c(cc(O)c(O)2)1
M  END

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