Mol:FLIAALNP0016

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.0422    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9296    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9296    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732    1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    1.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229   -0.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532   -0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7081   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183   -1.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7081   -0.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    1.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    0.4312    0.0000 O   0  0  0  0  0  0  0  0  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  2  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 15  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 16 31  1  0  0  0  0
 27 32  1  0  0  0  0
S  SKP  8
ID	FLIAALNP0016
KNApSAcK_ID	C00009920
NAME	Lupinisolone B
CAS_RN	121747-97-5
FORMULA	C25H26O7
EXACTMASS	438.167853186
AVERAGEMASS	438.46974
SMILES	c(c12)c(c(c(O)c1C(=O)C(c(c4)c(O)c(C3)c(c4)OC(C)(C)C3O)=CO2)CC=C(C)C)O
M  END

</pre>