Mol:FLIAALNI0016

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.3394    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3394    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1142    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1142    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705    1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6315   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6315    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8955    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8955    1.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257   -0.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8955   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4504   -0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4504   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0053   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205   -0.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367    1.1882    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
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 16 32  1  0  0  0  0
S  SKP  8
ID	FLIAALNI0016
KNApSAcK_ID	C00009916
NAME	Lupinisol C
CAS_RN	121748-01-4
FORMULA	C25H26O7
EXACTMASS	438.167853186
AVERAGEMASS	438.46974
SMILES	c(c13)c(c(c(O)c(C(=O)C(=CO3)c(c2)c(c(CC(C(C)=C)O)c(c2)O)O)1)CC=C(C)C)O
M  END

</pre>