Mol:FL5FACGL0033

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FL5FACGL0033.png 

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  54  55 
M  SBL   3  1  59 
M  SMT   3  CH2OH 
M  SVB   3 59    0.9622   -2.4657 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  52  53 
M  SBL   2  1  57 
M  SMT   2  CH2OH 
M  SVB   2 57   -3.8456    1.4076 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  50  51 
M  SBL   1  1  55 
M  SMT   1  CH2OH 
M  SVB   1 55     4.569   -0.1241 
S  SKP  8 
ID	FL5FACGL0033 
KNApSAcK_ID	C00005464 
NAME	Quercetin 3-sophoroside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one 
CAS_RN	42903-93-5 
FORMULA	C33H40O22 
EXACTMASS	788.201122964 
AVERAGEMASS	788.6575 
SMILES	c(c6)(cc(c(c6)O)O)C(O3)=C(C(=O)c(c(O)4)c3cc(O[C@@H]([C@@H](O)5)OC(CO)[C@H](O)[C@@H]5O)c4)O[C@H](O2)C(C([C@@H](O)[C@H]2CO)O)O[C@H]([C@@H]1O)OC(CO)[C@H]([C@H]1O)O 
M  END
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