Mol:FL2FA9NM0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
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    1.1017    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8452   -1.4198    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
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 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  SBV   1 22   -6.0925    4.1431
S  SKP  8
ID	FL2FA9NM0002
KNApSAcK_ID	C00008164
NAME	Comptonin
CAS_RN	60478-73-1
FORMULA	C17H16O4
EXACTMASS	284.104859
AVERAGEMASS	284.30654
SMILES	COc(c(C)3)c(C(=O)2)c(cc(O)3)OC(C2)c(c1)cccc1
M  END

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