Mol:FL3F98NS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.5227   -0.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8911   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6197   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9797   -1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6113   -0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8828   -0.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7083   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0684   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3001   -1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0286   -0.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9955   -2.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9398   -1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2165   -2.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8686   -2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2441   -1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9675   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3153   -0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7695   -1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1181   -2.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3317   -0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1180   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6877   -2.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5069   -3.2544    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 
 13 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  2 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 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24    2.0624    0.1955 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.7769   -0.4703 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20    0.8548   -0.0893 
S  SKP  8 
ID	FL3F98NS0010 
KNApSAcK_ID	C00003824 
NAME	6,2',3'-Trimethoxyflavone 
CAS_RN	79786-41-7 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	C(c12)(=O)C=C(c(c(OC)3)cccc3OC)Oc1ccc(OC)c2 
M  END