Mol:FL3FFANS0003

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Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9630    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.9451    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
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -1.1286    1.0455
S  SKP  8
ID	FL3FFANS0003
KNApSAcK_ID	C00003850
NAME	Isoscutellarein 8-methyl ether;5,7,4'-Trihydroxy-8-methoxyflavone;4'-Hydroxywogonin;8-Methoxyapigenin
CAS_RN	57096-02-3
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)ccc(O)c2)1
M  END

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