Mol:FL5FALNS0015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.4197    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2052    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6716   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5377   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2998   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0624    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.3616   -0.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2276   -0.5622    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 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 14 15  2  0  0  0  0 
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  1 23  1  0  0  0  0 
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 25 26  1  0  0  0  0 
 14 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29    1.7052    0.2316 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    2.0624    1.4197 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.7769    0.7355 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.2998   -1.0073 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    0.0044   -0.7319 
S  SKP  8 
ID	FL5FALNS0015 
KNApSAcK_ID	C00004756 
NAME	2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone 
CAS_RN	72947-61-6 
FORMULA	C20H20O8 
EXACTMASS	388.11581761599996 
AVERAGEMASS	388.368 
SMILES	c(c1OC)(C3=O)c(OC(=C3OC)c(c2)c(cc(OC)c(OC)2)O)cc(c1)OC 
M  END