Mol:FL2FE8NS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6004    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0685    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9576    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149   -0.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2896   -0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  9 11  1  0  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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.3149   -0.3273
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.3168   -0.0186
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.9576      0.77
S  SKP  8
ID	FL2FE8NS0003
KNApSAcK_ID	C00008340
NAME	5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
CAS_RN	100079-36-5
FORMULA	C18H18O7
EXACTMASS	346.10525293
AVERAGEMASS	346.33132
SMILES	c(c(C(O2)CC(c(c3O)c2cc(c3OC)OC)=O)1)(OC)cccc1O
M  END

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