Mol:LBF183nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
-4.9060 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6228 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5722 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2556 0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9865 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8205 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2375 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6545 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7394 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4719 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1897 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1924 -0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9060 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 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 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
18 20 2 0 0 0 0
S SKP 5
ID LBF183nnXX01
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES OC(=O)CCCCC=CCCCCCCC(C1)C=CC1
M END
