Mol:FL2F1CGS0001

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    0.2691    1.9823 
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    -2.969    0.2293 
S  SKP  8 
ID	FL2F1CGS0001 
KNApSAcK_ID	C00000946 
NAME	Butrin 
CAS_RN	492-13-7 
FORMULA	C27H32O15 
EXACTMASS	596.174120354 
AVERAGEMASS	596.5339799999999 
SMILES	c(c1)c(O[C@@H]([C@@H](O)5)OC([C@H](O)[C@H](O)5)CO)cc(O2)c1C(C[C@@](c(c3)ccc(O)c(O[C@H](O4)[C@@H](O)[C@H]([C@@H](O)C(CO)4)O)3)2[H])=O 
M  END