Mol:FLIAEGNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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    0.5254    0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3132    1.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6290    1.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.7067    2.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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  8  9  2  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    2.2825    0.5589 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    -2.997    0.6284 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.9253   -0.6772 
S  SKP  8 
ID	FLIAEGNS0001 
KNApSAcK_ID	C00009485 
NAME	Irigenin;5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone 
CAS_RN	548-76-5 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(c(OC)c(O)2)OC)C1=O 
M  END