Mol:FL2FGANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.8838    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.2149    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0494    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6128    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2295    0.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7055    1.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983   -0.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5744   -0.1149    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 
 14 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  2 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   -2.5983   -0.3321 
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   -2.2295      0.79 
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   -1.0494    1.0455 
S  SKP  8 
ID	FL2FGANS0002 
KNApSAcK_ID	C00008257 
NAME	5,4'-Dihydroxy-6,7,8-trimethoxyflavanone 
CAS_RN	75933-09-4 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)(c1)ccc(O)c1 
M  END