Mol:LBF18304HP02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.1492 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 0.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 23 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 4 0 0 0 2 16 1 0 0 0 0 16 3 1 4 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 S SKP 5 ID LBF18304HP02 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO M END