Mol:LBF102nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 12 12 0 0 1 0 0 0 0 0999 V2000 -2.4145 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0807 -0.1768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7641 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 1.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 4 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 10 12 2 0 0 0 0 S SKP 5 ID LBF102nnXX01 FORMULA C10H16O2 EXACTMASS 168.11502975599998 AVERAGEMASS 168.23283999999998 SMILES OC(=O)CCCCC(C1)C=CC1 M END