Mol:FL4DCCGS0002

Latest revision as of 09:00, 14 March 2009

 
 
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  31  32 
M  SBL   2  1  34 
M  SMT   2  CH2OH 
M  SVB   2 34   -2.1566   -0.6249 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36   -1.5032    0.9756 
S  SKP  8 
ID	FL4DCCGS0002 
KNApSAcK_ID	C00008720 
NAME	Padmatin 5-glucoside 
CAS_RN	93078-94-5 
FORMULA	C22H24O12 
EXACTMASS	480.126776232 
AVERAGEMASS	480.41876 
SMILES	c(c23)c(OC)cc(c(C([C@H](O)[C@@H](c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O 
M  END