Mol:FL3FCAGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    3.5640    0.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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 31 32  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  32 
M  SMT   2  CH2OH 
M  SVB   2 32    3.1291    0.5934 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -3.8436    0.2496 
S  SKP  8 
ID	FL3FCAGS0002 
KNApSAcK_ID	C00004199 
NAME	Apigenin 7-methyl ether 4'-glucoside 
CAS_RN	20486-36-6 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	[C@@H](C(O)4)(O[C@H](CO)[C@H](O)C4O)Oc(c1)ccc(C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)c1 
M  END