Mol:FL2FA9NI0016

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27   -1.9336    0.2876
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   -1.5511   -1.3597
S  SKP  8
ID	FL2FA9NI0016
KNApSAcK_ID	C00008385
NAME	Candidone
CAS_RN	77727-18-5
FORMULA	C22H24O4
EXACTMASS	352.167459256
AVERAGEMASS	352.42356
SMILES	C(C)(C)=CCc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)CC(=O)1
M  END

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