Mol:LBF18106HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -4.2532 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6966 2.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8407 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2532 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2532 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6421 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 4 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 8 17 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 1 18 1 0 0 0 0 2 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 2 0 0 0 0 S SKP 5 ID LBF18106HO03 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC=CCC(=O)C(O)CCCCCCCC(O)=O M END