Mol:FL4DA9NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.4258    0.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  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
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 18  1  1  0  0  0
  2 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
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   -2.0149    0.7573
S  SKP  8
ID	FL4DA9NS0004
KNApSAcK_ID	C00008549
NAME	Alpinone
CAS_RN	480-13-7
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cccc2
M  END

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