Mol:FLIAECNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
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    0.8144   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4092   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0040   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0040    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4092    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.1326   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8700   -0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7361   -1.4709    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 
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  6  1  2  0  0  0  0 
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 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    2.2409   -0.6772 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25    -1.847    0.0552 
S  SKP  8 
ID	FLIAECNS0004 
KNApSAcK_ID	C00009477 
NAME	Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone 
CAS_RN	69618-04-8 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(O)c(OC)c2)C1=O 
M  END