Mol:LBF18403SC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.1236 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6819 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1769 -0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6819 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5186 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9136 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3361 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 -0.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4936 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0564 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2114 0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8714 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4214 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5489 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1319 -0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5939 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1769 -0.4448 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 2 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 1 0 0 0 0
14 15 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
19 20 1 0 0 0 0
S SKP 5
ID LBF18403SC03
FORMULA C18H28O2
EXACTMASS 276.20893014
AVERAGEMASS 276.41372
SMILES CCC=CCC=CCC=CCC=CCCCCC(O)=O
M END
