Mol:FLIA1CNS0005

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0045    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    1.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687   -1.4494    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
  1 11  1  0  0  0  0
  8 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1 OCH3
M  SBV   1 22   -6.3365    3.3698
S  SKP  8
ID	FLIA1CNS0005
KNApSAcK_ID	C00009390
NAME	3'-Methoxydaidzein
CAS_RN	21913-98-4
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c(O)3)cc(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M  END

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