Mol:LBF21503HO02

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 24  0  0  1  0  0  0  0  0999 V2000
   -3.8798    0.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633   -0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0466   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4237    0.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6300   -0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5173   -1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6300   -1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5471   -0.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2783    0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    1.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7698   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769    0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185    0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  2  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
 23 24  1  0  0  0  0
 25  7  1  4  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11  7  1  4  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  4  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  2  0  0  0  0
  3 22  2  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  8 25  2  0  0  0  0
S  SKP  5
ID	LBF21503HO02
FORMULA	C21H32O4
EXACTMASS	348.23005951199997
AVERAGEMASS	348.47637999999995
SMILES	C(CC=CCC=CC=CC(OO)CC=CCCCC(OC)=O)=CCC
M  END

</pre>