Mol:LBF17000BC04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-1.7944 -2.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7944 -2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1979 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8981 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 -1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 -2.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1979 2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 2.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9604 2.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5480 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3105 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0731 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7519 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1643 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9893 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4018 -1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 -1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6392 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
3 20 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
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 LBF17000BC04
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCCCCCCCCCCCCCCC(C)C(O)=O
M END
</pre>
