Mol:FLIAE9NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7883    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    1.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    0.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539   -0.4083    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
 15 21  1  0  0  0  0
 13 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   -7.2753    4.3392
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   -7.2943    4.3502
S  SKP  8
ID	FLIAE9NS0001
KNApSAcK_ID	C00009863
NAME	Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN	128700-91-4
FORMULA	C18H14O7
EXACTMASS	342.073952802
AVERAGEMASS	342.29956000000004
SMILES	c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)cc(O)2)C1=O
M  END

</pre>