Mol:FL3FE9NS0007

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FL3FE9NS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.4634    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4634   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2055   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743    0.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4519   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3435   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6290   -1.4198    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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
  3 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   -6.5157    2.8850
S  SKP  8
ID	FL3FE9NS0007
KNApSAcK_ID	C00003995
NAME	5-Methoxy-6,7-methylenedioxyflavone
CAS_RN	119120-32-0
FORMULA	C17H12O5
EXACTMASS	296.068473494
AVERAGEMASS	296.27418
SMILES	COc(c21)c(C(=O)4)c(OC(=C4)c(c3)cccc3)cc(OCO2)1
M  END

</pre>

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