Mol:LBF18107MO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -5.2534 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0507 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5896 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0507 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2943 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4285 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 25 1 0 0 0 0 4 3 1 4 0 0 0 4 5 1 0 0 0 0 2 6 1 4 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 5 18 1 4 0 0 0 11 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 3 25 2 0 0 0 0 S SKP 5 ID LBF18107MO01 FORMULA C20H38O5 EXACTMASS 358.271924326 AVERAGEMASS 358.51272 SMILES C(CCC(O)C=CC(C(OC)CCCCCCCC(O)=O)OC)CC M END