Mol:FL5FEAGL0008

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  35  36 
M  SBL   4  1  38 
M  SMT   4  CH2OH 
M  SVB   4 38    3.1606   -1.5031 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  36 
M  SMT   3  OCH3 
M  SVB   3 36   -2.5728    -0.924 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2  OCH3 
M  SVB   2 34   -3.0499    0.8188 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -3.4071   -0.3509 
S  SKP  8 
ID	FL5FEAGL0008 
KNApSAcK_ID	C00005333 
NAME	Candidol 3-glucoside 
CAS_RN	141304-80-5 
FORMULA	C24H26O12 
EXACTMASS	506.142426296 
AVERAGEMASS	506.45604 
SMILES	OC([C@@H]1OC(=C3c(c4)ccc(c4)O)C(c(c2O3)c(OC)c(OC)c(c2)OC)=O)C([C@@H](O)[C@@H](CO)O1)O 
M  END