Mol:LBF16204SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
3.7503 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3636 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0786 -0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3636 0.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2553 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5788 -0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9807 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7047 0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0282 -0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5727 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8487 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1261 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8026 -0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4021 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0786 -0.0784 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 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
S SKP 5
ID LBF16204SC01
FORMULA C16H28O2
EXACTMASS 252.20893013999998
AVERAGEMASS 252.39231999999998
SMILES CCCC=CCC=CCCCCCCCC(O)=O
M END
