Mol:FLIBALNM0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0045    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2207    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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  5  1  0  0  0  0
  8 11  1  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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.3617    1.3062
S  SKP  8
ID	FLIBALNM0001
KNApSAcK_ID	C00009556
NAME	Ougenin
CAS_RN	1236-43-7
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c3)c(C)c(O)c(c23)C(=O)C(CO2)c(c1)c(O)cc(O)c1
M  END

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