Mol:LBF12000BC10
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 -0.4235 0.9301 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4235 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 1.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 4 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 4 11 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 1 12 1 0 0 0 0 3 15 1 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 S SKP 5 ID LBF12000BC10 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CCCCCC(C)CCCCCC(O)=O M END