Mol:LBF18206SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.6823 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2955 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0105 -0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2955 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1873 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9126 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2348 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6848 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3740 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8717 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4080 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9071 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9411 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4774 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9765 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5127 -0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0105 0.1739 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 LBF18206SC02
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CCCCCCC=CCCCC(O)=O
M END
