Mol:FLIA1CGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    0.7837   -0.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9368   -0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9368   -0.9248    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 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
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  2 10  1  0  0  0  0 
 10 11  2  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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 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   -3.2537    1.5436 
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    3.2336   -1.1311 
S  SKP  8 
ID	FLIA1CGS0003 
KNApSAcK_ID	C00010087 
NAME	Calycosin 7-O-glucoside 
CAS_RN	20633-67-4 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	[C@@H](Oc(c4)ccc(c43)C(C(=CO3)c(c2)ccc(c2O)OC)=O)([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O 
M  END