Mol:FL4DACNN0001

 
 
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  38  39 
M  SBL   2  1  42 
M  SMT   2  CH2OH 
M  SVB   2 42    2.0154    0.5202 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  37 
M  SBL   1  1  40 
M  SMT   1  OCH3 
M  SVB   1 40     3.179    0.2502 
S  SKP  8 
ID	FL4DACNN0001 
KNApSAcK_ID	C00001003 
NAME	Silybin 
CAS_RN	22888-70-6 
FORMULA	C25H22O10 
EXACTMASS	482.121296924 
AVERAGEMASS	482.43618000000004 
SMILES	O([C@]([H])(c(c5)cc(O3)c(c5)O[C@](CO)([C@]3(c(c4)cc(c(c4)O)OC)[H])[H])2)c(c(C(=O)[C@]2([H])O)1)cc(O)cc1O 
M  END