Mol:FL1DRTNS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.5457    0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377    0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840   -0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3315   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2198   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084   -0.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084    0.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840   -0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994    0.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    0.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630   -0.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775   -0.8810    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  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 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   -6.3140    3.7339
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   -7.2976    3.2678
S  SKP  8
ID	FL1DRTNS0003
KNApSAcK_ID	C00007925
NAME	Loureirin A
CAS_RN	119425-89-7
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c1
M  END

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