Mol:FL2FF9NS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.7790   -0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -1.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.2893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693   -0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6609    1.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6361    1.1956    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 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.1362    0.3295 
S  SKP  8 
ID	FL2FF9NS0002 
KNApSAcK_ID	C00008153 
NAME	5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate 
CAS_RN	83327-49-5 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	O(C1c(c3)cccc3)c(c2OC(C)=O)c(c(O)cc2OC)C(=O)C1 
M  END