Mol:LBF18306SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.1515 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7235 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3285 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7235 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6015 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5565 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5940 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1540 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2860 -0.7116 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
-1.2210 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7160 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2660 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0910 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5035 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9160 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3285 0.0034 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
12 13 1 0 0 0 0
13 14 1 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
11 12 2 0 0 0 0
15 14 2 0 0 0 0
S SKP 5
ID LBF18306SC02
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCCCCC=CCC=CCC=CCCCCC(O)=O
M END
