Mol:FL5FFCGS0017

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  35  36 
M  SBL   3  1  38 
M  SMT   3  CH2OH 
M  SVB   3 38   -3.1093    0.7738 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36    0.2622    0.7574 
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    3.0596    1.7424 
S  SKP  8 
ID	FL5FFCGS0017 
KNApSAcK_ID	C00005717 
NAME	Limocitrin 7-glucoside 
CAS_RN	119628-58-9 
FORMULA	C23H24O13 
EXACTMASS	508.121690854 
AVERAGEMASS	508.42886 
SMILES	O(c(c1)c(O)ccc1C(=C4O)Oc(c(C4=O)3)c(OC)c(cc3O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)C 
M  END