Mol:FL5FAAGL0105

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FL5FAAGL0105.png

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  74  75 
M  SBL   3  1  81 
M  SMT   3  CH2OH 
M  SVB   3 81   -4.4655   -1.0205 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  72  73 
M  SBL   2  1  79 
M  SMT   2  CH2OH 
M  SVB   2 79   -2.6529    2.1615 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  70  71 
M  SBL   1  1  77 
M  SMT   1  CH2OH 
M  SVB   1 77    2.9687   -2.2594 
S  SKP  8 
ID	FL5FAAGL0105 
KNApSAcK_ID	C00005926 
NAME	Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside) 
CAS_RN	173268-25-2 
FORMULA	C48H56O27 
EXACTMASS	1064.300896586 
AVERAGEMASS	1064.94204 
SMILES	c(c1O)cc(C(=C6O[C@@H](C(O[C@@H](O8)[C@H]([C@H](O)[C@@H](C8C)O)O)7)O[C@H](CO)[C@H](O)C(O)7)Oc(c(C6=O)5)cc(cc5O)O[C@@H]([C@H]2OC(C=Cc(c4)ccc(O)c4)=O)OC([C@@H]([C@@H]2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)O)CO)cc1 
M  END
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