Mol:FL63ACGS0023

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  42  43 
M  SBL   2  1  46 
M  SMT   2  CH2OH 
M  SVB   2 46    2.5471    2.5726 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  41 
M  SBL   1  1  44 
M  SMT   1  CH2OH 
M  SVB   1 44   -2.7224   -0.3461 
S  SKP  8 
ID	FL63ACGS0023 
KNApSAcK_ID	C00008859 
NAME	Catechin 7,3'-di-O-beta-D-glucopyranoside 
CAS_RN	105330-53-8 
FORMULA	C27H34O16 
EXACTMASS	614.18468504 
AVERAGEMASS	614.54926 
SMILES	[C@@H](O)([C@H]5O)[C@@H]([C@@H](OC(CO)5)Oc(c1)cc(O2)c(C[C@@H]([C@@H](c(c3)cc(O[C@H](O4)[C@H]([C@H]([C@@H](O)C(CO)4)O)O)c(O)c3)2)O)c1O)O 
M  END