Mol:FL5FGCNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -1.7125   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4787   -1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2072   -1.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0473   -2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4228   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3816   -2.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  4  7  1  0  0  0  0 
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  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -2.5983   -0.7269 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -1.0494    0.7182 
S  SKP  8 
ID	FL5FGCNS0003 
KNApSAcK_ID	C00004788 
NAME	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 
CAS_RN	96887-23-9 
FORMULA	C17H14O9 
EXACTMASS	362.06378204600003 
AVERAGEMASS	362.28765999999996 
SMILES	COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(O)2)c(OC)1 
M  END