Mol:FL5FAAGA0032

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 55 60  0  0  0  0  0  0  0  0999 V2000 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 12  1  0  0  0  0 
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 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
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  1 18  1  0  0  0  0 
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  8 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
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 27 22  1  0  0  0  0 
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 30 31  1  1  0  0  0 
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 33 32  1  1  0  0  0 
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 34 35  1  0  0  0  0 
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 48 52  1  0  0  0  0 
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 34 54  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  54  55 
M  SBL   1  1  59 
M  SMT   1 CH2OH 
M  SBV   1 59   -6.8580    6.3300 
S  SKP  8 
ID	FL5FAAGA0032 
KNApSAcK_ID	C00005875 
NAME	Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside 
CAS_RN	107140-37-4 
FORMULA	C36H36O19 
EXACTMASS	772.18507897 
AVERAGEMASS	772.6596400000001 
SMILES	C(OC(C(O)6)C(OC(C6O)CO)OC(C3=O)=C(c(c5)ccc(O)c5)Oc(c4)c3c(cc4O)O)(C(O)2)OC(C(C(O)2)O)COC(C=Cc(c1)cc(O)c(c1)O)=O 
M  END