Mol:LBF16107SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
3.6293 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2426 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9576 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2426 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0243 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3918 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7401 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0773 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1932 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9807 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5307 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1357 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3594 -0.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9576 -0.0584 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 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 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
S SKP 5
ID LBF16107SC01
FORMULA C16H30O2
EXACTMASS 254.22458020399998
AVERAGEMASS 254.4082
SMILES CCCCCCC=CCCCCCCCC(O)=O
M END
