Mol:LBF15306CV01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 21 0 0 0 0 0 0 0 0999 V2000 6.6359 -1.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3269 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1359 -2.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 -3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1359 -3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 -3.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3679 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 1 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 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 13 14 1 0 0 0 0 3 18 2 0 0 0 0 1 19 1 1 0 0 0 6 15 1 0 0 0 0 15 20 2 0 0 0 0 19 16 1 0 0 0 0 16 21 2 0 0 0 0 16 17 1 0 0 0 0 S SKP 5 ID LBF15306CV01 FORMULA C17H22O4 EXACTMASS 290.151809192 AVERAGEMASS 290.35418 SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1 M END