Mol:FLICQUNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0421    0.0450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0421    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0040   -1.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3820    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3488    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9123    2.4813    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  1  0  0  0 
 11 12  1  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  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
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 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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   -1.3488    1.5816 
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    2.0247   -1.1691 
S  SKP  8 
ID	FLICQUNS0004 
KNApSAcK_ID	C00009743 
NAME	Mucroquinone;7-Hydroxy-8,4'-dimethoxyisoflavanquinone 
CAS_RN	35878-40-1 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c3)c(=O)cc(c(=O)3)[C@H](C2)Cc(c1)c(O2)c(OC)c(O)c1 
M  END