Mol:FL3FGCGS0007

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  40  41 
M  SBL   5  1  43 
M  SMT   5  CH2OH 
M  SVB   5 43    4.0018    0.3597 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  46  47 
M  SBL   4  1  49 
M  SMT   4  OCH3 
M  SVB   4 49   -3.3075   -1.2302 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  44  45 
M  SBL   3  1  47 
M  SMT   3  OCH3 
M  SVB   3 47      0.29    0.7964 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  42  43 
M  SBL   2  1  45 
M  SMT   2  OCH3 
M  SVB   2 45   -1.9032   -0.0306 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  35  37  36 
M  SBL   1  1  38 
M  SMT   1  COOH 
M  SVB   1 38   -4.3953    1.5717 
S  SKP  8 
ID	FL3FGCGS0007 
KNApSAcK_ID	C00004445 
NAME	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside 
CAS_RN	101899-84-7 
FORMULA	C30H34O17 
EXACTMASS	666.179599662 
AVERAGEMASS	666.58076 
SMILES	C(O)(=O)CC(CC(Oc(c(OC)4)c(OC)c(O)c(c41)C(=O)C=C(c(c2)ccc(O[C@H](O3)C(O)C([C@H]([C@H]3CO)O)O)c(OC)2)O1)=O)(C)O 
M  END