Mol:LBF237nnPG01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 29  0  0  0  0  0  0  0  0999 V2000 
    3.5827   -0.5418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.4781    0.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.5000    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6691   -0.9486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.2213    1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4487   -1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0134    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4487   -2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3147   -2.5418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.3147   -3.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7565    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5486    3.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2918    4.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0838    5.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8270    6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1808   -4.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1808   -5.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3147   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3147   -6.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1808   -7.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0468   -6.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0468   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0933    1.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1808   -2.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612   -1.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7780    5.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6191    7.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  3 24  2  0  0  0  0 
  2  6  1  6  0  0  0 
  1  7  1  1  0  0  0 
  6  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 10 25  1  6  0  0  0 
  5 26  1  6  0  0  0 
 11 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 18  1  0  0  0  0 
 16 27  2  0  0  0  0 
 16 28  1  0  0  0  0 
S  SKP  5 
ID	LBF237nnPG01 
FORMULA	C23H30O5 
EXACTMASS	386.20932407 
AVERAGEMASS	386.48130000000003 
SMILES	C(c(c2)cccc2)C[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O)O 
M  END