Mol:FL2FG9NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.6004    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6004   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0685    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7660    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3294    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9576    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4576    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2882   -0.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6560   -0.8071    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 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.3149   -0.3996 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -1.9576      0.77 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    -0.766    1.0455 
S  SKP  8 
ID	FL2FG9NS0003 
KNApSAcK_ID	C00008161 
NAME	5-Hydroxy-6,7,8-trimethoxyflavanone 
CAS_RN	75428-50-1 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O 
M  END