Mol:FL5FE9NS0005

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Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6004    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.3073    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
  7 11  2  0  0  0  0
  9 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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.3149   -0.4342
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   -1.4805   -1.0073
S  SKP  8
ID	FL5FE9NS0005
KNApSAcK_ID	C00004546
NAME	3,7-Dihydroxy-5,6-dimethoxyflavone;3,7-Dihydroxy-5,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN	84323-36-4
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c(O)3)c(OC)c(C(=O)1)c(c3)OC(c(c2)cccc2)=C(O)1
M  END

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