Mol:FL3FE9GS0005

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FL3FE9GS0005.png

 
 
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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   -2.6741     0.908 
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   -0.6343   -0.3996 
S  SKP  8 
ID	FL3FE9GS0005 
KNApSAcK_ID	C00004123 
NAME	Baicalein 6-methyl ether 7-glucoside 
CAS_RN	36948-77-3 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1 
M  END
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