Mol:LBF14000HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 0 0 0 0 0 0999 V2000
2.6964 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2794 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9064 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4936 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9119 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1134 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5305 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9474 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3644 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2186 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8016 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3845 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9951 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7435 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3269 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9102 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4936 -0.1469 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
S SKP 5
ID LBF14000HO02
FORMULA C14H28O3
EXACTMASS 244.203844762
AVERAGEMASS 244.37032
SMILES OCCCCCCCCCCCCCC(O)=O
M END
