Mol:FL4DACNN0003

 
 
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  34  35 
M  SBL   2  1  38 
M  SMT   2  CH2OH 
M  SVB   2 38    1.7593   -0.4364 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36    2.8765    2.0705 
S  SKP  8 
ID	FL4DACNN0003 
KNApSAcK_ID	C00008662 
NAME	Isosilybin 
CAS_RN	72581-71-6 
FORMULA	C25H22O10 
EXACTMASS	482.121296924 
AVERAGEMASS	482.43618000000004 
SMILES	c(c1)(c(cc(C(O2)C(Oc(c3)c2ccc([C@H]([C@@H](O)5)Oc(c4C5=O)cc(O)cc4O)3)CO)c1)OC)O 
M  END