Mol:LBF18108SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.5093 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1226 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8376 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1226 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9043 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2718 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3207 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6868 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5631 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2107 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5307 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2003 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8479 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5176 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1679 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8376 -0.5177 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
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
S SKP 5
ID LBF18108SC02
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCCC=CCCCCCCCCC(O)=O
M END
