Mol:FL3FAIGS0009

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  42  41 
M  SBL   4  1  44 
M  SMT   4  CH2OH 
M  SVB   4 44   -2.5142   -0.8411 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  30 
M  SBL   3  1  32 
M  SMT   3  CH2OH 
M  SVB   3 32   -3.4423    1.1802 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  45  46 
M  SBL   2  1  49 
M  SMT   2  OCH3 
M  SVB   2 49    3.0855    0.7955 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  43  44 
M  SBL   1  1  47 
M  SMT   1  OCH3 
M  SVB   1 47    2.7532    2.3432 
S  SKP  8 
ID	FL3FAIGS0009 
KNApSAcK_ID	C00004467 
NAME	Tricin 5,7-diglucoside 
CAS_RN	74336-88-2 
FORMULA	C29H34O17 
EXACTMASS	654.179599662 
AVERAGEMASS	654.57006 
SMILES	[C@H](O)([C@H](Oc(c42)cc(O[C@H](O5)[C@H]([C@H]([C@@H](O)C5CO)O)O)cc2OC(=CC4=O)c(c3)cc(OC)c(c3OC)O)1)[C@H]([C@H](C(O1)CO)O)O 
M  END