Mol:FL5FFAGL0006

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FL5FFAGL0006.png

 
 
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  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  41  42 
M  SBL   2  1  45 
M  SMT   2  CH2OH 
M  SVB   2 45     0.886   -2.2872 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  43  44 
M  SBL   1  1  47 
M  SMT   1  OCH3 
M  SVB   1 47   -1.4903    2.4617 
S  SKP  8 
ID	FL5FFAGL0006 
KNApSAcK_ID	C00005358 
NAME	Sexangularetin 3-neohesperidoside;8-Methoxykaempferol 3-O-beta-D-(2''-O-alpha-L-rhamnopyranosyl)glucopyranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one 
CAS_RN	151029-71-9 
FORMULA	C28H32O16 
EXACTMASS	624.1690349759999 
AVERAGEMASS	624.54408 
SMILES	O([C@H](CO)5)[C@H](C(C(O)[C@@H](O)5)O[C@H]([C@@H](O)4)OC(C)[C@H]([C@H]4O)O)OC(C(=O)2)=C(Oc(c3OC)c2c(cc(O)3)O)c(c1)ccc(c1)O 
M  END
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