Mol:FL7AACGL0125
From Metabolomics.JP
FL7AACGL0126.mol ChemDraw12051213492D 38 41 0 0 0 0 0 0 0 0999 V2000 -0.4206 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 0.5774 0.0000 O 0 3 0 0 0 5 0 0 0 0 0 0 -2.5641 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 -1.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 2.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 1.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 0.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -2.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -2.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -1.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -2.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -2.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 -1.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -1.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -2.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2782 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 -2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7075 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 3 5 1 0 3 6 2 0 4 7 1 0 5 8 2 0 5 9 1 0 6 10 1 0 7 10 1 0 7 11 2 0 8 12 1 0 9 13 2 0 10 14 2 0 11 15 1 0 11 16 1 0 12 17 2 0 12 18 1 0 13 17 1 0 14 19 1 0 15 19 2 0 17 20 1 0 19 21 1 0 23 24 1 0 25 26 1 1 27 26 1 1 28 27 1 1 28 29 1 0 29 30 1 0 30 25 1 0 28 24 1 0 27 31 1 0 25 32 1 0 33 34 1 0 33 35 2 0 34 36 1 0 36 37 1 0 36 38 2 0 23 33 1 0 22 26 1 0 1 30 1 0 M CHG 1 6 1 S SKP 5 ID FL7AACGL0125 FORMULA C24H23O14 EXACTMASS 535.108780444 AVERAGEMASS 535.43102 SMILES OC(=O)CC(=O)OCC(O1)C(O)C(O)C(O)C1Oc(c3)c([o+1]c(c4)c(c(O)cc(O)4)3)c(c2)cc(O)c(O)c2 M END