Mol:LBF18206SC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.7785 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3505 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9555 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3505 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1735 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1285 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5235 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4510 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1990 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8862 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4224 -0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9215 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4577 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9555 0.1877 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 2 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 1 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 LBF18206SC03
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CCCCCCC=CCCCC(O)=O
M END
