Mol:LBF11000BC07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-4.2058 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1096 0.2181 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1096 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7947 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2058 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2058 -0.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5936 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1825 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9493 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3545 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7655 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5877 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
2 10 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
2 11 1 0 0 0 0
4 14 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
S SKP 5
ID LBF11000BC07
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCCCC(C)CCCCC(O)=O
M END
