Mol:LBF18109MO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 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 3 0 0 0 0 0 0 0 0 0 -2.0555 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1039 -0.3572 0.0000 C 0 0 3 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 -2.0701 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 0.3819 0.0000 O 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 -1.1039 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 0.7653 0.0000 C 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 -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 25 1 4 0 0 0 3 6 1 4 0 0 0 2 8 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 4 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 5 18 1 0 0 0 0 9 24 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 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 5 25 2 0 0 0 0 S SKP 5 ID LBF18109MO02 FORMULA C20H38O5 EXACTMASS 358.271924326 AVERAGEMASS 358.51272 SMILES C(CCC(C(C(OC)C=CCCCCCCCC(O)=O)O)OC)CC M END