Mol:LBF18206HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-2.2293 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5804 1.7846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5804 2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5116 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2752 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 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 1 4 0 0 0
1 6 1 0 0 0 0
2 9 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
10 11 2 0 0 0 0
10 12 1 0 0 0 0
4 13 1 0 0 0 0
10 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 LBF18206HO03
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O
M END
