Mol:FL5FAJNM0002

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FL5FAJNM0002.png

 
 
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 26 28  0  0  0  0  0  0  0  0999 V2000 
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    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618   -0.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  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 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1 OCH3 
M  SBV   1 27   -6.3693    3.6782 
S  SKP  8 
ID	FL5FAJNM0002 
KNApSAcK_ID	C00004912 
NAME	6,8-Di-C-methylmyricetin 4'-methyl ether 
CAS_RN	72686-98-7 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3C)O)C)=O)O)c1 
M  END
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