Mol:LBF18206SC08
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.3715 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9435 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5485 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9435 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8215 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2715 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7765 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1990 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8085 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7435 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1560 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1735 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6135 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0260 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5485 -0.6098 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 1 0 0 0 0
15 14 2 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
19 20 1 0 0 0 0
S SKP 5
ID LBF18206SC08
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CCC=CCCCCCCCC(O)=O
M END
