Mol:FL3FF9NS0004

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7790    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    1.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 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   -2.1362      0.77
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   -0.9447    1.0455
S  SKP  8
ID	FL3FF9NS0004
KNApSAcK_ID	C00003810
NAME	7-O-Methylwogonin;7-O-Methylwogonine;Moslosooflavone;5-Hydroxy-7,8-dimethoxyflavone
CAS_RN	3570-62-5
FORMULA	C17H14O5
EXACTMASS	298.084123558
AVERAGEMASS	298.29006
SMILES	COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1
M  END

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