Mol:FLIAABGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    4.7738   -1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
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  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
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 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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 15 16  2  0  0  0  0 
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 16 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  32 
M  SMT   2  CH2OH 
M  SVB   2 32   -3.3658    1.5037 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34    3.2359   -1.0912 
S  SKP  8 
ID	FLIAABGS0001 
KNApSAcK_ID	C00010112 
NAME	Biochanin A 7-O-glucoside;Astroside;Sissotrin 
CAS_RN	5928-26-7 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(c(C3=O)c(OC=C(c(c4)ccc(c4)OC)3)2)O)CO)O)O 
M  END