Mol:LBF16000HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
3.0949 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6778 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3049 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8920 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3103 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5119 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.9289 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3458 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7628 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4031 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9861 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5967 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9284 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5118 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0951 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8920 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5119 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 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
17 18 1 0 0 0 0
6 19 1 4 0 0 0
S SKP 5
ID LBF16000HO02
FORMULA C16H32O3
EXACTMASS 272.23514489
AVERAGEMASS 272.42348
SMILES CCCCCCCCCCCCC(O)CCC(O)=O
M END
