Mol:FL5FE9NS0003

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Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.6096   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9769   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1701    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9504    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3633    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2157    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1848    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6056    2.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2503    2.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4743    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0534    1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8291   -1.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0213    2.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    3.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0684   -1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560   -0.8071    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 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   -0.3996
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    0.8237   -0.6973
S  SKP  8
ID	FL5FE9NS0003
KNApSAcK_ID	C00004544
NAME	5,7-Dihydroxy-3,6-dimethoxyflavone;3-O-Methylalnusin;Alnusin 3-methyl ether;5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN	59917-40-7
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cccc2)=C(OC)1
M  END

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