Mol:FL4DA9NS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.6577   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1368   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6159   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6159    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1368    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6577    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4258   -0.4820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.4258    0.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.0950    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9462    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4806    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0149    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0149    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4806    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9462    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8572   -0.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5911   -0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8766   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0149    0.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5149    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  8 18  1  1  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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   -2.0149    0.7382 
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   -1.5911   -0.9329 
S  SKP  8 
ID	FL4DA9NS0005 
KNApSAcK_ID	C00008550 
NAME	(2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone;(2R,3R)-5,7-Di-O-methylpinobanksin 
CAS_RN	67335-36-8 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c3)cc(O1)c(c(OC)3)C(=O)[C@H](O)[C@H]1c(c2)cccc2 
M  END