Mol:FL3FECNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9630   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8201    1.3089    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
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
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   -2.3202    0.4428
S  SKP  8
ID	FL3FECNS0005
KNApSAcK_ID	C00003886
NAME	Pedalitin;3',4',5,6-Tetrahydroxy-7-methoxyflavone;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN	22384-63-0
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c1)c(O)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c2
M  END

</pre>