Mol:FL5FACGL0064

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FL5FACGL0064.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  55  56 
M  SBL   2  1  60 
M  SMT   2  CH2OH 
M  SVB   2 60    0.9746   -3.0017 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  53  54 
M  SBL   1  1  58 
M  SMT   1  CH2OH 
M  SVB   1 58   -1.7097   -0.7463 
S  SKP  8 
ID	FL5FACGL0064 
KNApSAcK_ID	C00005977 
NAME	Quercetin 3-(2'''-caffeylsophoroside) 
CAS_RN	162556-38-9 
FORMULA	C36H36O20 
EXACTMASS	788.179993592 
AVERAGEMASS	788.65904 
SMILES	O[C@H]([C@H](O)4)C(O[C@H]([C@H]4O[C@@H](C(OC(=O)C=Cc(c6)ccc(c6O)O)5)O[C@@H]([C@H](O)C5O)CO)OC(C(=O)1)=C(c(c3)ccc(c(O)3)O)Oc(c2)c(c(cc2O)O)1)CO 
M  END
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