Mol:LBF12000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-2.4661 -0.2076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0491 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6320 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8831 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3001 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7170 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1341 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0319 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6149 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1980 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9142 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6320 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9130 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4661 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 1 0 0 0 0
4 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 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
1 15 1 4 0 0 0
S SKP 5
ID LBF12000BC01
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCC(C)CCCCCCCCC(O)=O
M END
