Mol:FL3F3GNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3617   -0.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2277   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.2381    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 
  6 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -2.7769    0.3721 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    1.7052   -0.1318 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    2.0624    1.0564 
S  SKP  8 
ID	FL3F3GNS0001 
KNApSAcK_ID	C00004077 
NAME	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone 
CAS_RN	133343-00-7 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c(OC)1)(OC)cc(C(O3)=CC(c(c32)ccc(c2O)OC)=O)cc1O 
M  END