Mol:FL5FDDGS0001

 
 
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  34  35 
M  SBL   3  1  37 
M  SMT   3  CH2OH 
M  SVB   3 37    -2.918    0.7892 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    3.2326    1.7424 
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    2.0249   -0.9854 
S  SKP  8 
ID	FL5FDDGS0001 
KNApSAcK_ID	C00005604 
NAME	Quercetin 3,3'-dimethyl ether 7-glucoside 
CAS_RN	2345-97-3 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(O3)c(C(C(=C3c(c4)cc(OC)c(O)c4)OC)=O)c(O)2)CO)O)O 
M  END