Mol:FL5FFAGS0019

 
 
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  34  35 
M  SBL   3  1  37 
M  SMT   3  CH2OH 
M  SVB   3 37   -3.5722    0.9578 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    3.6234    1.5104 
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    0.0167    0.9894 
S  SKP  8 
ID	FL5FFAGS0019 
KNApSAcK_ID	C00005365 
NAME	Prudomenin 
CAS_RN	24568-40-9 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	O(C)c(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(OC)c(cc2O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O 
M  END