Mol:FL63ACGS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34    2.3976   -1.2961 
S  SKP  8 
ID	FL63ACGS0005 
KNApSAcK_ID	C00008841 
NAME	Catechin 3-O-beta-D-glucopyranoside 
CAS_RN	109280-46-8 
FORMULA	C21H24O11 
EXACTMASS	452.13186161 
AVERAGEMASS	452.40866 
SMILES	C([C@@H]1O[C@H]([C@@H](c(c4)cc(c(O)c4)O)3)Cc(c2O3)c(cc(O)c2)O)(O)C(O)[C@@H](O)[C@H](O1)CO 
M  END