Mol:LBF14106SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 0 0 0 0 0 0999 V2000
3.0821 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6953 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4103 -0.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6953 0.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4771 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8446 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1928 -0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5301 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1066 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4829 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0329 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5554 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1921 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7751 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4103 -0.1616 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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
S SKP 5
ID LBF14106SC01
FORMULA C14H26O2
EXACTMASS 226.19328007599998
AVERAGEMASS 226.35504
SMILES CCCCCC=CCCCCCCC(O)=O
M END
