Mol:FLIA1AGS0004

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Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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    3.5210   -0.2728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503   -0.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8503    1.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2023   -0.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2568   -1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318   -1.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  2  3  1  1  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
 10 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
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 15 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 CH2OH
M  SBV   1 32   -5.8326    3.2587
S  SKP  8
ID	FLIA1AGS0004
KNApSAcK_ID	C00010079
NAME	Daidzein 4'-O-glucoside
CAS_RN	58970-69-7
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	c(c1)(O4)c(C(C(=C4)c(c2)ccc(OC(O3)C(O)C(O)C(O)C3CO)c2)=O)ccc(O)1
M  END

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