Mol:FL3F99NS0007

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FL3F99NS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8158   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8158   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7032   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8158   -1.1708    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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1 OCH3
M  SBV   1 20   -3.9827    3.0500
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2 ^OCH3
M  SBV   2 22   -4.9806    2.5653
S  SKP  8
ID	FL3F99NS0007
KNApSAcK_ID	C00003798
NAME	6,3'-Dimethoxyflavone
CAS_RN	71592-46-6
FORMULA	C17H14O4
EXACTMASS	282.089208936
AVERAGEMASS	282.29066
SMILES	COc(c3)cc(cc3)C(=C1)Oc(c2)c(cc(OC)c2)C(=O)1
M  END

</pre>

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