Mol:FL63ADGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35   -2.7224    0.7352 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33     2.994    1.6304 
S  SKP  8 
ID	FL63ADGS0001 
KNApSAcK_ID	C00008861 
NAME	Symplocoside 
CAS_RN	76502-76-6 
FORMULA	C22H26O11 
EXACTMASS	466.147511674 
AVERAGEMASS	466.43524 
SMILES	O(c(c1O)cc([C@H]([C@@H]4O)Oc(c2)c(C4)c(cc2O[C@@H]([C@H]3O)OC(CO)[C@@H]([C@@H]3O)O)O)cc1)C 
M  END