Mol:LBF20503HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -3.1721 0.3025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5846 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6335 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6335 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 1.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 7 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 6 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20503HO03 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CC=CCC=CCC(C=CC=CCCCC(O)=O)O)=CCC M END