Mol:FL3FADCS0017

 
 
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  30  31 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -0.7957    1.3956 
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    1.6996     1.103 
S  SKP  8 
ID	FL3FADCS0017 
KNApSAcK_ID	C00006364 
NAME	Scoparin;8-C-beta-D-Glucopyranosylchrysoeriol;Chrysoeriol 8-C-glucoside;Scoparoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	301-16-6 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	O[C@@H]([C@H]4O)[C@H](O)[C@@H](OC4CO)c(c31)c(O)cc(O)c1C(=O)C=C(O3)c(c2)cc(c(c2)O)OC 
M  END