Mol:FL1CUNNS0001

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Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8787    0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9143    1.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9143   -0.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0639    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462    1.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6086    0.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764    1.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4619    1.3051    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 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  18  19
M  SBL   1  1  19
M  SMT   1 ^OCH3
M  SBV   1 19   -6.1519    4.0370
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  21
M  SMT   2 ^OCH3
M  SBV   2 21   -5.7197    4.7907
S  SKP  8
ID	FL1CUNNS0001
KNApSAcK_ID	C00007167
NAME	Linderone
CAS_RN	1782-79-2
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1
M  END

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