Mol:FL5F3CNS0005

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FL5F3CNS0005.png

 
 
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 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9942   -1.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.5691    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 
 15 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    1.6687    1.6718 
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    0.4611    -1.056 
S  SKP  8 
ID	FL5F3CNS0005 
KNApSAcK_ID	C00004664 
NAME	7,8,4'-Trihydroxy-3,3'-dimethoxyflavone;7,8-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one 
CAS_RN	149981-96-4 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)3)cc(cc3)C(O1)=C(OC)C(=O)c(c2)c(c(O)c(O)c2)1 
M  END
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