Mol:FL5FDDGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  33 
M  SMT   3  CH2OH 
M  SVB   3 33    3.1228    1.0594 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37    0.3505    1.6977 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35   -0.8571   -1.0301 
S  SKP  8 
ID	FL5FDDGS0002 
KNApSAcK_ID	C00005605 
NAME	Quercetin 3,3'-dimethyl ether 4'-glucoside 
CAS_RN	89648-74-8 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c1)c(OC)cc(C(=C(OC)2)Oc(c3)c(c(cc3O)O)C2=O)c1 
M  END