Mol:LBF21503HO04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.6046 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1487 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 -0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 -1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 -1.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8631 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 -1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 2 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 25 7 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 11 5 1 4 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 4 0 0 0 14 15 1 0 0 0 0 16 15 1 4 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 2 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 6 24 2 0 0 0 0 8 25 2 0 0 0 0 S SKP 5 ID LBF21503HO04 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(OC)=O)=CCC M END