Mol:FL3FALNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.3202   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5950    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1038    1.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4610   -0.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3270   -0.8550    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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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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    1.8046   -0.0612 
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    0.1038    1.4185 
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    2.1618     1.127 
S  SKP  8 
ID	FL3FALNS0010 
KNApSAcK_ID	C00004081 
NAME	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	144525-19-9 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c3OC)c(c(c(c3OC)O)OC)C(O1)=CC(c(c(O)2)c1cc(O)c2)=O 
M  END