Mol:LBF18109HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 22 0 0 1 0 0 0 0 0999 V2000 -5.1807 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1571 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3322 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7058 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9433 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3557 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 22 1 0 0 0 0 2 6 1 4 0 0 0 3 6 1 4 0 0 0 4 7 1 4 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 4 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 5 22 2 0 0 0 0 S SKP 5 ID LBF18109HO03 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES C(C(C(O)C=CCCCCCCCC(O)=O)1)(CCCCC)O1 M END