Mol:LBF21503HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.8798 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4237 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -0.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7698 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0769 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 0.9896 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 4 1 0 0 0 0 23 24 1 0 0 0 0 25 7 1 4 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 4 5 1 0 0 0 0 6 11 1 0 0 0 0 11 7 1 4 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 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 5 23 2 0 0 0 0 6 24 2 0 0 0 0 8 25 2 0 0 0 0 S SKP 5 ID LBF21503HO02 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES C(CC=CCC=CC=CC(OO)CC=CCCCC(OC)=O)=CCC M END