Mol:FL5FECGS0016

 
 
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  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34   -3.1259   -0.9105 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  38 
M  SMT   2  OCH3 
M  SVB   2 38    1.6686    -0.873 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36   -0.9062    0.7846 
S  SKP  8 
ID	FL5FECGS0016 
KNApSAcK_ID	C00005658 
NAME	Tomentin 6-glucoside 
CAS_RN	64190-90-5 
FORMULA	C23H24O13 
EXACTMASS	508.121690854 
AVERAGEMASS	508.42886 
SMILES	O=C(C(OC)=3)c(c(O)1)c(OC3c(c4)ccc(c4O)O)cc(OC)c1O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O 
M  END