Mol:LBF18108SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.2247 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5529 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9872 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3354 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1753 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8477 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5403 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1178 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7421 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3347 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9603 -0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5529 -0.0337 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 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 2 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
17 16 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
S SKP 5
ID LBF18108SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCCC=CCCCCCCCCC(O)=O
M END
