Mol:LBF18108HO06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -4.2535 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 2.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 -1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 4 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 2 11 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 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 4 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 4 22 2 0 0 0 0 S SKP 5 ID LBF18108HO06 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC(=O)CC=CC(O)CCCCCCCC(O)=O M END