Mol:FL2FF8NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.6796    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6796   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456    0.0056    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0107    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8452    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4086    1.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7445    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2446    2.4662    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 
  1 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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    0.7445    1.6001 
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   -0.8452    0.8998 
S  SKP  8 
ID	FL2FF8NS0001 
KNApSAcK_ID	C00008259 
NAME	5,7-Dihydroxy-8,2'-dimethoxyflavanone 
CAS_RN	100079-33-2 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c3)c(ccc3)C(C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 
M  END