Mol:LBF10000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
2.6187 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3337 -0.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6187 0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0054 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3179 -0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6566 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6717 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0054 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 -0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3337 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 1 0 0 0 0
4 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 1 0 0 0 0
S SKP 5
ID LBF10000SC01
FORMULA C10H20O2
EXACTMASS 172.14632988399998
AVERAGEMASS 172.2646
SMILES CCCCCCCCCC(O)=O
M END
