Mol:FL3FAIGS0002

 
 
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  30  31 
M  SBL   3  1  33 
M  SMT   3  CH2OH 
M  SVB   3 33   -2.7983    0.3632 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37    2.7801    1.4694 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35     3.174   -0.1143 
S  SKP  8 
ID	FL3FAIGS0002 
KNApSAcK_ID	C00004444 
NAME	Tricin 7-glucoside 
CAS_RN	32769-01-0 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c(OC)3)O)OC)=CC2=O)CO)O)O 
M  END