Mol:FL5FACGL0027

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FL5FACGL0027.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  54  55 
M  SBL   2  1  59 
M  SMT   2  CH2OH 
M  SVB   2 59   -2.3651   -2.3474 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  52  53 
M  SBL   1  1  57 
M  SMT   1  CH2OH 
M  SVB   1 57    2.8252    1.2173 
S  SKP  8 
ID	FL5FACGL0027 
KNApSAcK_ID	C00005453 
NAME	Quercetin 3-(2G-glucosylgentiobioside) 
CAS_RN	55696-56-5 
FORMULA	C33H40O22 
EXACTMASS	788.201122964 
AVERAGEMASS	788.6575 
SMILES	O([C@H](O6)[C@@H](O)[C@H]([C@@H](O)C6CO)O)C[C@H]([C@@H]5O)O[C@H](C(C(O)5)O[C@H]([C@H](O)4)OC(CO)[C@H]([C@@H](O)4)O)OC(=C(c(c3)cc(c(c3)O)O)2)C(=O)c(c(O2)1)c(cc(O)c1)O 
M  END
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