Mol:LBF18206OX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
-2.1886 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0871 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6357 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6357 2.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1886 2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1886 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4709 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2344 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9660 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9660 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9660 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9660 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0871 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20 21 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
2 12 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
4 13 1 0 0 0 0
6 19 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
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 2 0 0 0 0
3 21 2 0 0 0 0
S SKP 5
ID LBF18206OX01
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES CCCCCC=CC=CC(=O)CCCCCCCC(O)=O
M END
