Mol:FL3FGCGS0005

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  36  37 
M  SBL   4  1  39 
M  SMT   4  CH2OH 
M  SVB   4 39   -2.6744    0.3632 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  37 
M  SMT   3  OCH3 
M  SVB   3 37    0.7224    0.6492 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35   -0.6936   -0.5572 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    2.9039    1.4694 
S  SKP  8 
ID	FL3FGCGS0005 
KNApSAcK_ID	C00004441 
NAME	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-glucoside 
CAS_RN	70575-23-4 
FORMULA	C24H26O13 
EXACTMASS	522.137340918 
AVERAGEMASS	522.45544 
SMILES	C(C([C@H](O)4)O[C@H]([C@@H](O)[C@H]4O)Oc(c(OC)3)c(c(O1)c(c(O)3)C(=O)C=C1c(c2)cc(c(O)c2)OC)OC)O 
M  END