Mol:FLIAE8NS0008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.7883    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -0.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826   -0.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    1.6915    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
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26    1.8849    0.8002
S  SKP  8
ID	FLIAE8NS0008
KNApSAcK_ID	C00009858
NAME	5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
CAS_RN	129724-35-2
FORMULA	C17H12O7
EXACTMASS	328.058302738
AVERAGEMASS	328.27297999999996
SMILES	COc(c(O)4)c(ccc4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1
M  END

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