Mol:FLIAAANI0008

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4645    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082    0.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2044    0.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7607    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7607    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2044    1.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168    0.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    0.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2044   -0.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206    1.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5612   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5612   -1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006   -0.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0629   -1.6486    0.0000 O   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
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
  3 25  1  0  0  0  0
 22 26  1  0  0  0  0
S  SKP  8
ID	FLIAAANI0008
KNApSAcK_ID	C00009892
NAME	Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone
CAS_RN	104691-87-4
FORMULA	C20H18O6
EXACTMASS	354.110338308
AVERAGEMASS	354.35332
SMILES	Oc(c1)ccc(C(=C3)C(=O)c(c2O)c(O3)cc(c(CC=C(CO)C)2)O)c1
M  END

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