Mol:FL3F1CNS0005

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FL3F1CNS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.0021    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2231   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2231    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198    0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    1.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    0.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619    0.6643    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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1 ^OCH3
M  SBV   1 24   -6.6809    3.3796
S  SKP  8
ID	FL3F1CNS0005
KNApSAcK_ID	C00003997
NAME	7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN	58996-65-9
FORMULA	C17H12O5
EXACTMASS	296.068473494
AVERAGEMASS	296.27418
SMILES	COc(c4)cc(O1)c(c4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2
M  END

</pre>

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