Mol:LBF142nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
-3.7173 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4341 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3835 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0669 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0488 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1171 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7002 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9996 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7173 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9982 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
14 16 2 0 0 0 0
S SKP 5
ID LBF142nnXX01
FORMULA C14H24O2
EXACTMASS 224.17763001199998
AVERAGEMASS 224.33916
SMILES OC(=O)CCCCCCCCC(C1)C=CC1
M END
