Mol:FL5FCAGL0011

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FL5FCAGL0011.png 

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  62  63 
M  SBL   3  1  68 
M  SMT   3  CH2OH 
M  SVB   3 68    1.1681     -4.18 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  58  59 
M  SBL   2  1  64 
M  SMT   2  CH2OH 
M  SVB   2 64   -0.6303    0.3999 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  60  61 
M  SBL   1  1  66 
M  SMT   1  OCH3 
M  SVB   1 66    -4.613   -2.7258 
S  SKP  8 
ID	FL5FCAGL0011 
KNApSAcK_ID	C00005931 
NAME	Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside) 
CAS_RN	142449-94-3 
FORMULA	C43H52O20 
EXACTMASS	888.305194104 
AVERAGEMASS	888.8609799999999 
SMILES	[C@H]([C@H](CO)1)(C(OC(C=C(C)C=C[C@]([C@]7(C)6)(O)[C@@](CO7)(C[C@H](O)C6)C)=O)C([C@@H](Oc(c5)ccc(c5)C(O3)=C(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)C(c(c23)c(cc(c2)OC)O)=O)O1)O)O 
M  END
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