Mol:LBF16302SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
3.5874 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1456 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6681 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1456 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9824 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3499 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1399 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0426 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5926 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7476 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4076 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9576 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5351 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0851 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6681 -0.3870 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 2 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 2 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 2 0 0 0 0
17 18 1 0 0 0 0
S SKP 5
ID LBF16302SC01
FORMULA C16H26O2
EXACTMASS 250.19328007599998
AVERAGEMASS 250.37643999999997
SMILES CC=CCCC=CCCC=CCCCCC(O)=O
M END
