Mol:LBF192nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 0 0 0 0 0 0999 V2000
0.5686 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1542 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3203 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9033 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0692 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7856 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5034 -0.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7842 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0145 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8395 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5884 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1714 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7545 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3375 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9205 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5034 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4270 0.6662 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
3 4 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
8 10 2 0 0 0 0
11 1 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 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 21 1 0 0 0 0
12 21 1 0 0 0 0
S SKP 5
ID LBF192nnXX01
FORMULA C19H34O2
EXACTMASS 294.255880332
AVERAGEMASS 294.47206000000006
SMILES C(=C(CCCCCCCC(O)=O)1)(CCCCCCCC)C1
M END
