Mol:FLIAECGS0003

 
 
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   -3.4743    1.4283 
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    3.4146    -0.155 
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    -1.796   -0.0247 
S  SKP  8 
ID	FLIAECGS0003 
KNApSAcK_ID	C00010132 
NAME	Iristectorigenin B 7-O-glucoside;Iristectorin B 
CAS_RN	94396-09-5 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C(c(c2)cc(c(c2)O)OC)1)O 
M  END