Mol:FLIAEANS0006

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FLIAEANS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.6398   -1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2825    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    2.1723    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
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  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.2825    1.3062
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.6398    0.1365
S  SKP  8
ID	FLIAEANS0006
KNApSAcK_ID	C00009463
NAME	7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone
CAS_RN	1096-58-8
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c1)c(OC)c(O)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)1
M  END

</pre>

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