Mol:LBF18305SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.2752 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7252 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7727 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7123 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0873 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6648 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0773 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5998 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0398 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4523 -0.6016 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
S SKP 5
ID LBF18305SC01
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCCCC=CC=CC=CCCCCCCCC(O)=O
M END
