Mol:FL5FGCGL0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  33  34 
M  SBL   4  1  36 
M  SMT   4  CH2OH 
M  SVB   4 36    3.2737   -1.7983 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  37  38 
M  SBL   3  1  40 
M  SMT   3  OCH3 
M  SVB   3 40   -3.3075   -0.6318 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  38 
M  SMT   2  OCH3 
M  SVB   2 38    1.0386    1.7983 
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   -1.7587    0.8133 
S  SKP  8 
ID	FL5FGCGL0001 
KNApSAcK_ID	C00005783 
NAME	Limocitrol 3-glucoside 
CAS_RN	77133-42-7 
FORMULA	C24H26O14 
EXACTMASS	538.13225554 
AVERAGEMASS	538.45484 
SMILES	C(O4)(=C(C(c(c43)c(O)c(OC)c(O)c3OC)=O)O[C@H](O2)C(O)C([C@@H](O)[C@@H](CO)2)O)c(c1)cc(OC)c(c1)O 
M  END