Mol:FLIAABGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    0.7861   -0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0418   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5869    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963    0.7766    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.9078   -1.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7738   -1.8849    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
 11 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  32
M  SMT   2  CH2OH
M  SVB   2 32   -3.3658    1.5037
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34    3.2359   -1.0912
S  SKP  8
ID	FLIAABGS0001
KNApSAcK_ID	C00010112
NAME	Biochanin A 7-O-glucoside;Astroside;Sissotrin
CAS_RN	5928-26-7
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(c(C3=O)c(OC=C(c(c4)ccc(c4)OC)3)2)O)CO)O)O
M  END

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