Mol:LBF20406HO09
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.5289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.1017 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
6 4 1 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
7 9 1 0 0 0 0
8 10 2 0 0 0 0
9 11 2 0 0 0 0
11 12 1 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 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 1 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20406HO09
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES OC(CC=CCC=CCC=CCC=CCCCCC)CC(O)=O
M END
