Mol:FL63ACGS0022

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    4.1563    1.4146 
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   -3.8377   -0.6115 
S  SKP  8 
ID	FL63ACGS0022 
KNApSAcK_ID	C00008858 
NAME	Catechin 5,4'-di-O-beta-D-glucopyranoside 
CAS_RN	105330-56-1 
FORMULA	C27H34O16 
EXACTMASS	614.18468504 
AVERAGEMASS	614.54926 
SMILES	O([C@@H](Oc(c2)c(C5)c(O[C@@H]([C@H]5O)c(c4)ccc(c4O)O[C@H](O3)C(C([C@@H](O)[C@@H](CO)3)O)O)cc2O)1)C(CO)[C@H](O)[C@@H]([C@@H]1O)O 
M  END