Mol:FL5F3ANS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4197    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    1.5655    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
  8 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.7769    0.6994
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    2.0624    1.3836
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -1.5853    0.9749
S  SKP  8
ID	FL5F3ANS0004
KNApSAcK_ID	C00004578
NAME	3-Hydroxy-7,8,4'-trimethoxyflavone
CAS_RN	57499-06-6
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c1OC)(OC)ccc(C2=O)c(OC(c(c3)ccc(OC)c3)=C2O)1
M  END

</pre>