Mol:FL5FAEGLS001

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FL5FAEGLS001.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  35  36 
M  SBL   1  1  38 
M  SMT   1 CH2OH 
M  SBV   1 38   -4.7767    2.8557 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  37  38 
M  SBL   2  1  40 
M  SMT   2 OCH3 
M  SBV   2 40   -4.7205    3.1567 
S  SKP  8 
ID	FL5FAEGLS001 
KNApSAcK_ID	C00006073 
NAME	Tamarixetin 3-glucoside-7-sulfate;Quercetin 4'-methyl ether 3-glucoside-7-sulfate;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one 
CAS_RN	156606-91-6 
FORMULA	C22H22O15S 
EXACTMASS	558.067940724 
AVERAGEMASS	558.4670800000001 
SMILES	Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c(cc(c4)OS(O)(=O)=O)3)OC(O2)C(O)C(C(C(CO)2)O)O)OC 
M  END
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