Mol:FL5FFCNS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  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    0.1451    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
    1.3853    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
    1.1282   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943   -1.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.6178    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
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
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   -1.1286    0.7182
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    0.4611   -1.0246
S  SKP  8
ID	FL5FFCNS0007
KNApSAcK_ID	C00004727
NAME	Gossypetin 3,8-dimethyl ether;5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	4988-22-1
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(OC)=C1c(c2)cc(O)c(O)c2
M  END

</pre>