Mol:FL2F3CNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.8234    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8234   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1089   -1.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3945   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3945    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1089    0.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6800   -1.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0345   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0345    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6800    0.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7930    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5074    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2219    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2219    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5074    1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7930    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6800   -1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4938    0.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1089    1.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8937    1.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6849    1.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8648    0.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4938    0.5740    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 
  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 
  1 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
S  SKP  8 
ID	FL2F3CNS0003 
KNApSAcK_ID	C00014127 
NAME	7,4'-Dihydroxy-8,3'-dimethoxyflavanone 
CAS_RN	207906-24-9 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(ccc(O)2)C(=O)1 
M  END