Mol:LBF20407HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 25 0 0 1 0 0 0 0 0999 V2000 -3.3923 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4051 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5184 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5184 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2329 1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 -0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1884 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5382 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 0 3 4 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 7 2 1 4 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 4 0 0 0 1 16 1 0 0 0 0 7 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 2 23 2 0 0 0 0 3 24 2 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 S SKP 5 ID LBF20407HO01 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC M END