Mol:FL4DDBNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4515    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7389    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4484   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7316   -0.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0190   -0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0226    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3027   -0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4100   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4063    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3100    0.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0601    0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7761    0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4890    0.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4858    1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7698    1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0569    1.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3016   -1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7316   -1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0694    0.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0123   -0.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7076    0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1358    1.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7076    1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3610   -1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2182    1.0509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4100   -1.1929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  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  6  1  0  0  0  0 
  9 11  1  6  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 
  4 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  8 20  1  1  0  0  0 
 19 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 18 24  1  0  0  0  0 
  9 25  1  1  0  0  0 
  8 26  1  6  0  0  0 
S  SKP  8 
ID	FL4DDBNS0001 
KNApSAcK_ID	C00014365 
NAME	(2R,3R)-3-Hydroxy-5,7,4'-trimethoxyflavanone 
CAS_RN	76792-94-4 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c12)(OC)cc(OC)cc(OC(c(c3)ccc(OC)c3)(C(C2=O)([H])O)[H])1 
M  END