Mol:LBF18302HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.3104 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7861 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5273 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2839 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8979 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -3.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8979 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 3.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 3.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 6 7 1 4 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 11 12 1 0 0 0 0 13 5 1 4 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 2 20 1 0 0 0 0 20 3 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 16 12 1 0 0 0 0 S SKP 5 ID LBF18302HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC M END