Mol:FL5FACGL0055

Latest revision as of 09:00, 14 March 2009

 
 
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  43  44 
M  SBL   1  1  47 
M  SMT   1  CH2OH 
M  SVB   1 47    2.4903     0.335 
S  SKP  8 
ID	FL5FACGL0055 
KNApSAcK_ID	C00005957 
NAME	Quercetin 3-(2''-galloylglucoside) 
CAS_RN	69624-79-9 
FORMULA	C28H24O16 
EXACTMASS	616.1064347199999 
AVERAGEMASS	616.48056 
SMILES	O[C@@H]([C@@H](O)4)C(O[C@@H]([C@@H]4OC(=O)c(c5)cc(O)c(O)c5O)OC(C(=O)1)=C(c(c3)cc(c(c3)O)O)Oc(c2)c(c(cc(O)2)O)1)CO 
M  END