Mol:FL5FAAGL0095

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FL5FAAGL0095.png 

 
 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  66  67 
M  SBL   4  1  72 
M  SMT   4  CH2OH 
M  SVB   4 72    1.0954   -3.8624 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  64  65 
M  SBL   3  1  70 
M  SMT   3  CH2OH 
M  SVB   3 70   -4.0617    3.3532 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  62  63 
M  SBL   2  1  68 
M  SMT   2  CH2OH 
M  SVB   2 68    -1.225   -1.1093 
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    3.1889   -1.1778 
S  SKP  8 
ID	FL5FAAGL0095 
KNApSAcK_ID	C00005914 
NAME	Kaempferol 3-[2'''-(E)-ferulylsophoroside]-7-glucoside 
CAS_RN	151649-63-7 
FORMULA	C43H48O24 
EXACTMASS	948.253552464 
AVERAGEMASS	948.82682 
SMILES	[C@H](O)([C@H](CO)7)C(C([C@H](O7)Oc(c6)cc(O)c(c65)C(=O)C(=C(O5)c(c4)ccc(O)c4)O[C@H](O3)[C@H]([C@@H](O)[C@H](C3CO)O)O[C@@H](C1OC(C=Cc(c2)cc(OC)c(O)c2)=O)O[C@@H]([C@@H](C1O)O)CO)O)O 
M  END
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