Mol:LBF15000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
-3.3928 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4540 1.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4540 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7541 1.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7541 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1265 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1265 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1265 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6291 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2166 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9803 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3928 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3928 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3715 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7840 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
1 6 1 0 0 0 0
2 11 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
2 12 1 0 0 0 0
4 14 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
4 18 1 0 0 0 0
15 19 1 0 0 0 0
18 19 1 0 0 0 0
S SKP 5
ID LBF15000BC03
FORMULA C17H34O2
EXACTMASS 270.255880332
AVERAGEMASS 270.45065999999997
SMILES CCCCCCCC(C)CCCC(C)CCC(O)=O
M END
