Mol:LBF18303SC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.1102 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6823 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2873 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6823 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5602 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0102 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0477 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1402 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7673 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1798 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6748 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0598 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9948 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3798 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8198 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 -0.6291 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 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 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
15 14 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
S SKP 5
ID LBF18303SC03
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCC=CCC=CC=CCCCCCCCCC(O)=O
M END
