Mol:FL5FAAGL0100

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FL5FAAGL0100.png 

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  63  64 
M  SBL   2  1  69 
M  SMT   2  CH2OH 
M  SVB   2 69    2.1523   -2.7912 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  61  62 
M  SBL   1  1  67 
M  SMT   1  CH2OH 
M  SVB   1 67   -3.5795    2.7467 
S  SKP  8 
ID	FL5FAAGL0100 
KNApSAcK_ID	C00005919 
NAME	Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside) 
CAS_RN	173268-23-0 
FORMULA	C42H46O22 
EXACTMASS	902.248073156 
AVERAGEMASS	902.80144 
SMILES	[C@H](O)([C@@H](OC([C@H](OC(=C6c(c7)ccc(O)c7)C(=O)c(c3O6)c(cc(O[C@@H]([C@H]4OC(C=Cc(c5)ccc(O)c5)=O)OC(CO)[C@H](O)[C@@H]4O)c3)O)2)C([C@@H](O)[C@H](O2)CO)O)1)[C@H](O)[C@H](O)C(C)O1 
M  END
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