Mol:FL3FAAGS0029

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FL3FAAGS0029.png

 
 
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  1 18  1  0  0  0  0 
  3 19  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    3.4816   -0.9963 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1  CH2OH 
M  SVB   1 43   -4.2809    1.9106 
S  SKP  8 
ID	FL3FAAGS0029 
KNApSAcK_ID	C00004165 
NAME	Apigenin 7,4'-diglucoside;7-(beta-D-glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one 
CAS_RN	31737-50-5 
FORMULA	C27H30O15 
EXACTMASS	594.15847029 
AVERAGEMASS	594.5181 
SMILES	C(C(O)1)(O)[C@@H]([C@H](CO)O[C@@H]1Oc(c2)cc(O)c(C5=O)c2OC(=C5)c(c3)ccc(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)c3)O 
M  END
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