Mol:FLIA1LGS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.4114    0.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551    0.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987    0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573    0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341    0.9887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987   -0.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -1.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153    0.7730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1690    0.3160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6704    0.5099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1508    0.5041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5389    0.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482    0.6818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3557    0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7088    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3847    0.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412   -0.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557   -0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219    1.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0343    2.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560   -1.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -1.9795    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 18 28  1  0  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  31  32
M  SBL   3  1  34
M  SMT   3  CH2OH
M  SVB   3 34   -3.2538    1.5984
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2  OCH3
M  SVB   2 36     3.284   -1.1859
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    3.6412   -0.0247
S  SKP  8
ID	FLIA1LGS0003
KNApSAcK_ID	C00010161
NAME	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside
CAS_RN	113235-89-5
FORMULA	C23H24O11
EXACTMASS	476.13186161
AVERAGEMASS	476.43006
SMILES	O(c(c(OC)1)c(c(C(C(=O)2)=COc(c3)c2ccc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)3)cc1)O)C
M  END

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