Mol:FL2FCHNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2410   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.1760    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.5721    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2410    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0983    1.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5402   -0.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4062   -0.8549    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    1.8838   -0.0612 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.5983    0.4428 
S  SKP  8 
ID	FL2FCHNS0001 
KNApSAcK_ID	C00008344 
NAME	Dihydrotricetin 7,3'-dimethyl ether 
CAS_RN	92585-20-1 
FORMULA	C17H16O7 
EXACTMASS	332.089602866 
AVERAGEMASS	332.30474 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)cc(OC)c(O)c(O)2 
M  END