Mol:FL3FECNS0023

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.8676    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8676   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3672   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8667   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8667    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3672    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3663   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1342   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1342    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3663    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6343    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1646    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6950    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6950    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1646    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6343    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3672   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3663   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5821   -0.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5674   -0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5610   -0.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4271   -0.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2249    0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7250    1.6032    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 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  3 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
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  2 20  1  0  0  0  0 
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 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -2.2249    0.7372 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    1.8676     0.201 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.5821   -0.3356 
S  SKP  8 
ID	FL3FECNS0023 
KNApSAcK_ID	C00013595 
NAME	Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone 
CAS_RN	41365-32-6 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	O(C(c(c3)cc(OC)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC 
M  END