Mol:LBF09000BC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
-3.5391 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 0.8895 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4633 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5514 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5514 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5514 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1280 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5391 1.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5391 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
2 4 1 4 0 0 0
1 5 1 0 0 0 0
2 9 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
3 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
S SKP 5
ID LBF09000BC02
FORMULA C10H20O2
EXACTMASS 172.14632988399998
AVERAGEMASS 172.2646
SMILES CCCCCCC(C)CC(O)=O
M END
