Mol:FL3F9GNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
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   -1.6847    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0158   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6742    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9555   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9474   -0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8322    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5402    1.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4063    1.8044    0.0000 C   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 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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M  STY  1   6 SUP 
M  SLB  1   6   6 
M  SAL   6  2  28  29 
M  SBL   6  1  30 
M  SMT   6  OCH3 
M  SVB   6 30   -2.1212   -1.2954 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  26  27 
M  SBL   5  1  28 
M  SMT   5  OCH3 
M  SVB   5 28    1.8838   -0.0565 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26     2.241    1.1317 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -1.4067    0.7229 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    1.3907    1.7079 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.9555   -0.7222 
S  SKP  8 
ID	FL3F9GNS0002 
KNApSAcK_ID	C00003951 
NAME	5,6,8,3',4',5'-Hexamethoxyflavone 
CAS_RN	135010-79-6 
FORMULA	C21H22O8 
EXACTMASS	402.13146768 
AVERAGEMASS	402.39458 
SMILES	O(C(c(c3)cc(OC)c(OC)c3OC)=2)c(c(C(=O)C2)1)c(cc(c1OC)OC)OC 
M  END