Mol:LBF18108HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -4.2826 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 1.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6715 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8701 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 4 0 0 0 5 7 1 4 0 0 0 5 8 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 4 0 0 0 3 15 1 4 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 14 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 4 25 2 0 0 0 0 S SKP 5 ID LBF18108HO02 FORMULA C20H38O5 EXACTMASS 358.271924326 AVERAGEMASS 358.51272 SMILES OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC M END