Mol:FLIA1LNP0007

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Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3657    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    0.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968    0.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1405    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1405    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968    1.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052   -0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    0.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968   -0.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218    1.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    1.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -0.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  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
  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
S  SKP  8
ID	FLIA1LNP0007
KNApSAcK_ID	C00009871
NAME	Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone
CAS_RN	116109-15-4
FORMULA	C20H16O5
EXACTMASS	336.099773622
AVERAGEMASS	336.33804000000003
SMILES	c(O)(c4)ccc(c43)C(C(=CO3)c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O
M  END

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