Mol:FL5FEGNS0005

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FL5FEGNS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.1416   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0290   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0290   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.7737    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7737    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6977    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6977   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7737    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6397   -0.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5058   -0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9496   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8157   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4901    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9315    2.6397    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 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  8 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 16 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28    1.4901    1.7424 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    0.2825   -0.9854 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    1.9832    -0.022 
S  SKP  8 
ID	FL5FEGNS0005 
KNApSAcK_ID	C00004825 
NAME	5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone 
CAS_RN	72357-38-1 
FORMULA	C18H16O9 
EXACTMASS	376.07943210999997 
AVERAGEMASS	376.31424 
SMILES	c(c(OC)1)(c(OC)cc(C(O2)=C(C(c(c3O)c2cc(c3O)O)=O)OC)c1)O 
M  END
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