Mol:FLIAEAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -2.5535    0.9999 
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   -1.0638    0.0030 
S  SKP  8 
ID	FLIAEAGS0001 
KNApSAcK_ID	C00002576 
NAME	Tectoridin;Shekanin;Shekkanin;Tectorigenin 7-O-glucoside 
CAS_RN	611-40-5 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)O)O 
M  END