Mol:FLIAECNS0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.1455    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564   -0.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    0.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256   -0.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -0.7004    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  7 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1 OCH3
M  SBV   1 25   -6.6210    4.5618
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2 OCH3
M  SBV   2 27   -7.6516    4.0582
S  SKP  8
ID	FLIAECNS0013
KNApSAcK_ID	C00009862
NAME	Iriskashmirianin;4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN	128700-90-3
FORMULA	C18H14O7
EXACTMASS	342.073952802
AVERAGEMASS	342.29956000000004
SMILES	c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)c(O)c2)C1=O
M  END

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