Mol:FLIAECNS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.1566    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1566    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0440    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0686    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4877    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6247   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6247   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8142   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8142   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7127    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4877   -0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4674   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8711   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4674    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
  8 11  1  0  0  0  0 
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 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
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  1  2  1  0  0  0  0 
  1 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
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 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  3 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1 ^OCH3 
M  SBV   1 26   -6.2289    5.1145 
S  SKP  8 
ID	FLIAECNS0009 
KNApSAcK_ID	C00009828 
NAME	Dalspinin;5,7-Dihydroxy-6-methoxy-3',4'-methylenedioxyisoflavone 
CAS_RN	83162-85-0 
FORMULA	C17H12O7 
EXACTMASS	328.058302738 
AVERAGEMASS	328.27297999999996 
SMILES	COc(c(O)4)c(O)c(c3c4)C(=O)C(=CO3)c(c1)cc(O2)c(OC2)c1 
M  END