Mol:FL2FF9NS0002

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FL2FF9NS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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    1.0023    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0023    0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609    1.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    0.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    1.1956    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
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.1362    0.3295
S  SKP  8
ID	FL2FF9NS0002
KNApSAcK_ID	C00008153
NAME	5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate
CAS_RN	83327-49-5
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	O(C1c(c3)cccc3)c(c2OC(C)=O)c(c(O)cc2OC)C(=O)C1
M  END

</pre>

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