Mol:FLII1CNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.2556    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2556    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6993   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1430    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1430    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6993    1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5867   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0304    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5257   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5849   -0.8147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5257   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1025   -1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6792   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6792   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1025    0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2556    0.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5869    1.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1276    0.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5452   -1.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4112   -1.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6128    1.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1128    2.2994    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
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 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15  9  1  0  0  0  0 
 14 16  1  0  0  0  0 
  5 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  21  22 
M  SBL   3  1  23 
M  SMT   3  OCH3 
M  SVB   3 23   -2.6128    1.4334 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  19  20 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21    1.8983   -1.0209 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  17  18 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19   -0.5869    1.1358 
S  SKP  8 
ID	FLII1CNS0005 
KNApSAcK_ID	C00010075 
NAME	Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran 
CAS_RN	94190-37-1 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c3)cc(OC)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 
M  END