Mol:LBF162nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 1 0 0 0 0 0999 V2000
-4.3003 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0171 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1921 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9666 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6319 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5341 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1172 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7002 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2831 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8661 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5825 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3003 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5811 1.0161 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 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
16 18 2 0 0 0 0
S SKP 5
ID LBF162nnXX01
FORMULA C16H28O2
EXACTMASS 252.20893013999998
AVERAGEMASS 252.39231999999998
SMILES OC(=O)CCCCCCCCCCC(C1)C=CC1
M END
