Mol:FLIAFAGS0001

 
 
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  32  33 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35   -2.5044    0.8951 
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    0.2654    1.4239 
S  SKP  8 
ID	FLIAFAGS0001 
KNApSAcK_ID	C00010172 
NAME	Isotectorigenin 7-O-glucoside 
CAS_RN	13431-07-7 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	c(c1C(C2=O)=COc(c(OC)3)c2c(O)cc3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)cc(cc1)O 
M  END