Mol:FL4DA8NS0003

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FL4DA8NS0003.png

 
 
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
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