Mol:FLIB1LGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 38  0  0  0  0  0  0  0  0999 V2000 
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    3.4151   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
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  2 10  1  0  0  0  0 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35   -2.4653    1.3973 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  37 
M  SMT   1  OCH3 
M  SVB   1 37    3.1394    0.9234 
S  SKP  8 
ID	FLIB1LGS0001 
KNApSAcK_ID	C00010175 
NAME	Onogenin 7-O-glucoside;Onoside 
CAS_RN	96304-52-8 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	c(O5)(c(OC5)4)cc(c(OC)c4)C(C(=O)1)COc(c2)c1ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)2 
M  END