Mol:FL3FCACS0004

 
 
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  31  32 
M  SBL   2  1  34 
M  SMT   2  CH2OH 
M  SVB   2 34   -1.0378    1.5845 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -2.4484    -0.338 
S  SKP  8 
ID	FL3FCACS0004 
KNApSAcK_ID	C00006129 
NAME	Isoswertisin;7-O-Methylvitexin;Isoflavocommelitin;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	6980-40-1 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	O[C@@H]([C@H]1O)[C@H](O)[C@H](c(c42)c(cc(O)c(C(C=C(O4)c(c3)ccc(c3)O)=O)2)OC)OC1CO 
M  END