Mol:FL5FFCNS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3202   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4859    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0494    1.6179    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 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 15 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    2.1618     1.127 
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   -1.4859    0.7182 
S  SKP  8 
ID	FL5FFCNS0012 
KNApSAcK_ID	C00004732 
NAME	Gossypetin 8,4'-dimethyl ether 
CAS_RN	111514-47-7 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2 
M  END