Mol:FL5FCAGA0003

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  43  44 
M  SBL   3  1  47 
M  SMT   3  CH2OH 
M  SVB   3 47    -0.975   -2.1321 
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    2.6367    0.5814 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1  OCH3 
M  SVB   1 43   -3.4335    1.8216 
S  SKP  8 
ID	FL5FCAGA0003 
KNApSAcK_ID	C00005276 
NAME	Rhamnocitrin 3-glucosyl-(1->2)-galactoside 
CAS_RN	117047-50-4 
FORMULA	C28H32O16 
EXACTMASS	624.1690349759999 
AVERAGEMASS	624.54408 
SMILES	[C@H](C1O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C5CO)O)O)(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c(c(O)cc3OC)2)O[C@H](CO)[C@H](O)C1O 
M  END