Mol:FL5FACGLS001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  37 
M  SBL   1  1  39 
M  SMT   1  CH2OH 
M  SVB   1 39    2.4547   -0.3361 
S  SKP  8 
ID	FL5FACGLS001 
KNApSAcK_ID	C00006068 
NAME	Quercetin 3-(3''-sulfatoglucoside) 
CAS_RN	86203-13-6 
FORMULA	C21H20O15S 
EXACTMASS	544.0522906599999 
AVERAGEMASS	544.4404999999999 
SMILES	OCC([C@@H](O)1)O[C@H](OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)[C@H](O)[C@@H]1OS(O)(=O)=O 
M  END