Mol:LBF18000HO17
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
4.0767 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6596 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2867 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8738 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2921 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4937 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9107 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7446 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1617 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5787 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0043 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6149 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3632 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9466 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5300 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1133 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9102 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4936 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2905 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8738 0.5928 0.0000 O 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
3 5 2 0 0 0 0
1 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
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
20 21 1 0 0 0 0
S SKP 5
ID LBF18000HO17
FORMULA C18H36O3
EXACTMASS 300.266445018
AVERAGEMASS 300.47664
SMILES OCCCCCCCCCCCCCCCCCC(O)=O
M END
</pre>
