Mol:FLIB1CNS0001

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.1830    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    0.5369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4709    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  1  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  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 11  2  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 13 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  SVB   1 22    2.0248   -0.6772
S  SKP  8
ID	FLIB1CNS0001
KNApSAcK_ID	C00009536
NAME	3'-Hydroxydihydroformononetin
CAS_RN	67492-31-3
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c3)c(O)cc(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M  END

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