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