Mol:LBF13111BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
-2.7495 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9425 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1951 1.4289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4166 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1951 0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7495 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7495 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0642 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0642 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0642 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 16 1 0 0 0 0
3 6 1 4 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
1 10 1 0 0 0 0
2 15 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
5 16 2 0 0 0 0
S SKP 5
ID LBF13111BC01
FORMULA C14H26O2
EXACTMASS 226.19328007599998
AVERAGEMASS 226.35504
SMILES CCCCCCCCC(C)CC=CC(O)=O
M END
