Mol:FL3FAIGS0003

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FL3FAIGS0003.png

 
 
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  32  33 
M  SBL   3  1  35 
M  SMT   3  CH2OH 
M  SVB   3 35    -2.355   -0.5489 
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    2.5611    0.5471 
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    2.2288    2.0948 
S  SKP  8 
ID	FL3FAIGS0003 
KNApSAcK_ID	C00004461 
NAME	Tricin 5-glucoside 
CAS_RN	32769-00-9 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c3)c(c(cc3O)1)C(=O)C=C(c(c2)cc(c(c(OC)2)O)OC)O1 
M  END
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