Mol:FL1DE9NI0001

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FL1DE9NI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  0  0  0  0  0  0999 V2000
    1.9650    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650   -0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297   -0.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945   -0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9330   -0.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0054   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686   -1.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0054    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9617    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9617   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4781   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4781   -1.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452    0.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8945   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2364    1.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1646    2.0296    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  7  1  0  0  0  0
 10 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 10  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -0.2364    1.1135
S  SKP  8
ID	FL1DE9NI0001
KNApSAcK_ID	C00008011
NAME	2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
CAS_RN	77129-39-6
FORMULA	C21H24O5
EXACTMASS	356.162373878
AVERAGEMASS	356.41226
SMILES	COc(c2O)c(O)c(c(c(CC=C(C)C)2)O)C(=O)CCc(c1)cccc1
M  END

</pre>

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