Mol:FL1CUNNS0004

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Copyright: ARM project http://www.metabolome.jp/
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.0948    0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    1.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304   -0.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0539   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0539   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3925    1.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    1.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    1.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397    0.8911    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
  9 10  2  0  0  0  0
 10 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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  18
M  SMT   1 ^OCH3
M  SBV   1 18   -5.9358    4.7907
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  20
M  SMT   2 OCH3
M  SBV   2 20   -5.0608    4.7595
S  SKP  8
ID	FL1CUNNS0004
KNApSAcK_ID	C00007170
NAME	Methyllucidone
CAS_RN	19956-54-8
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COC(=C1)C(=O)C(=C(OC)C=Cc(c2)cccc2)C(=O)1
M  END

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