Mol:FL4DA8NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1030   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195   -0.4629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0195    0.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5404    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119   -0.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356   -0.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017   -0.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4603    0.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9603    1.6233    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
  8 18  1  1  0  0  0
  2 19  1  0  0  0  0
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25   -2.4603    0.7573
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    1.7458    0.2327
S  SKP  8
ID	FL4DA8NS0004
KNApSAcK_ID	C00008573
NAME	3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
CAS_RN	74175-80-7
FORMULA	C17H16O7
EXACTMASS	332.089602866
AVERAGEMASS	332.30474
SMILES	COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(OC)c2)1
M  END

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