Mol:FLIAEAGS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    0.4998   -0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.2915   -1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2915   -2.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8023    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3022    2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
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  5 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
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 13 14  1  0  0  0  0 
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 15 16  1  0  0  0  0 
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 10 19  1  0  0  0  0 
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 23 31  1  0  0  0  0 
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  1 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34    3.4449   -1.1116 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36   -3.8023    1.5241 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -4.1593    0.3554 
S  SKP  8 
ID	FLIAEAGS0010 
KNApSAcK_ID	C00010171 
NAME	7-O-Methyltectorigenin 4'-O-galactoside 
CAS_RN	116988-14-8 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	c(c3O[C@@H](C(O)4)O[C@H](CO)[C@H](O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O 
M  END