Mol:FL5FGGNS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
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   -0.5721   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2410    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8502   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5402   -0.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4062   -0.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 27 28  1  0  0  0  0 
  6 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  29  30 
M  SBL   5  1  31 
M  SMT   5  OCH3 
M  SVB   5 31   -1.4067    0.7182 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29    1.8838   -0.0612 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -2.9555   -0.7269 
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     0.183   -1.0246 
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     2.241     1.127 
S  SKP  8 
ID	FL5FGGNS0007 
KNApSAcK_ID	C00004864 
NAME	5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone 
CAS_RN	96887-20-6 
FORMULA	C20H20O10 
EXACTMASS	420.10564686 
AVERAGEMASS	420.3668 
SMILES	COc(c(O)3)c(cc(c3)C(O2)=C(C(c(c21)c(c(c(O)c1OC)OC)O)=O)OC)OC 
M  END