Mol:FLIA1LNS0010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954   -1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.5982    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
  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
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    0.6762   -1.1857
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    1.9253    -0.877
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.6398    1.5982
S  SKP  8
ID	FLIA1LNS0010
KNApSAcK_ID	C00009414
NAME	2'-Hydroxy-7,3',4'-trimethoxyisoflavone
CAS_RN	71973-12-1
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c1O)(OC)c(OC)ccc1C(C3=O)=COc(c32)cc(OC)cc2
M  END

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