Mol:LBF10000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
-1.8934 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4764 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1352 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1352 0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1085 0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3124 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0749 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9446 -0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1196 -0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2930 0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8614 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4809 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8934 1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8934 -0.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
1 6 1 0 0 0 0
2 9 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
4 10 1 0 0 0 0
5 13 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
15 14 1 4 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
S SKP 5
ID LBF10000BC03
FORMULA C16H32O2
EXACTMASS 256.240230268
AVERAGEMASS 256.42408
SMILES CCCCCCC(CCCCCC)CCC(O)=O
M END
