Mol:FL1CUNNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  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   -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
    0.6414    1.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558    0.8911    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
   -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
  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
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  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   -4.8447    4.7595
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   -5.7197    4.7907
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  21  22
M  SBL   3  1  22
M  SMT   3 ^OCH3
M  SBV   3 22   -6.1519    4.0370
S  SKP  8
ID	FL1CUNNS0002
KNApSAcK_ID	C00007168
NAME	Methylliderone
CAS_RN	3984-73-4
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COC(C=Cc(c2)cccc2)=C(C(=O)1)C(=O)C(OC)=C(OC)1
M  END

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