Mol:FL3FAADS0007

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  41  42 
M  SBL   2  1  45 
M  SMT   2  CH2OH 
M  SVB   2 45   -3.0481    1.3974 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1  CH2OH 
M  SVB   1 43   -2.1373    -0.569 
S  SKP  8 
ID	FL3FAADS0007 
KNApSAcK_ID	C00006224 
NAME	Saponarin 
CAS_RN	20310-89-8 
FORMULA	C27H30O15 
EXACTMASS	594.15847029 
AVERAGEMASS	594.5181 
SMILES	O(C5CO)[C@H]([C@H]([C@H]([C@@H](O)5)O)O)Oc(c([C@@H]([C@@H](O)4)OC([C@H](O)[C@H](O)4)CO)3)cc(c2c3O)OC(=CC2=O)c(c1)ccc(c1)O 
M  END