Mol:FL4DA8NS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0215   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -0.4629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0621    0.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4588    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5419    0.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934   -0.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171   -0.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.5610    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
  3  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  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
  2 20  1  0  0  0  0
 17 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    1.8274    0.2327
S  SKP  8
ID	FL4DA8NS0003
KNApSAcK_ID	C00008572
NAME	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
CAS_RN	-
FORMULA	C16H14O7
EXACTMASS	318.073952802
AVERAGEMASS	318.27816
SMILES	COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(O)c2)1
M  END

</pre>