Mol:LBF10000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
-1.9199 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0710 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8632 1.2778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8632 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2930 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6628 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3801 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3801 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3801 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5074 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9199 1.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9199 0.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5777 2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8632 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 4 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
6 5 1 0 0 0 0
6 7 1 0 0 0 0
1 8 1 0 0 0 0
2 13 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
3 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
3 18 1 0 0 0 0
17 18 1 0 0 0 0
S SKP 5
ID LBF10000BC04
FORMULA C16H32O2
EXACTMASS 256.240230268
AVERAGEMASS 256.42408
SMILES CCCCCCCCC(CC)(CCCC)C(O)=O
M END
