Mol:FL4DCENS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.4758    0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7631    0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4726   -0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7558   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0432   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0468    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3269   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3857   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3821    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3342    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0359    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7519    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4648    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4616    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7456    1.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0327    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3258   -1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7558   -1.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0936    0.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9636   -0.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7297    0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0487    0.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1197    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7297    1.4061    0.0000 C   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  6  0  0  0 
 19 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
S  SKP  8 
ID	FL4DCENS0002 
KNApSAcK_ID	C00014368 
NAME	(2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone 
CAS_RN	307499-82-7 
FORMULA	C17H16O7 
EXACTMASS	332.089602866 
AVERAGEMASS	332.30474 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(OC)c2 
M  END