Mol:FL2FF8NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8799   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8799    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2036   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036    0.1001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3173    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3173   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -1.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536    1.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    0.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    0.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023    1.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372    0.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373    1.5848    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  0  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
  2 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
  5 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   -2.2372    0.7188
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   -1.1579    0.9294
S  SKP  8
ID	FL2FF8NS0004
KNApSAcK_ID	C00008411
NAME	5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
CAS_RN	111199-93-0
FORMULA	C17H16O7
EXACTMASS	332.089602866
AVERAGEMASS	332.30474
SMILES	COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc(O)2
M  END

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