Mol:FL7AACGL0126
From Metabolomics.JP
FL7AACGL0126.mol ChemDraw12051213492D 49 53 0 0 0 0 0 0 0 0999 V2000 -0.4206 0.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 2.1473 0.0000 O 0 3 0 0 0 5 0 0 0 0 0 0 -2.5641 0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 2.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 3.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 -0.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 2.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 4.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 3.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -0.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 -3.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -3.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1033 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 -2.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 -1.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -4.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -3.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -3.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -3.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -1.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2782 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 -0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7075 0.5330 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 1 25 24 1 1 26 25 1 1 26 27 1 0 27 28 1 0 28 23 1 0 26 22 1 0 25 29 1 0 23 30 1 0 24 31 1 0 28 32 1 0 32 33 1 0 34 35 1 0 36 37 1 1 38 37 1 1 39 38 1 1 39 40 1 0 40 41 1 0 41 36 1 0 39 35 1 0 38 42 1 0 36 43 1 0 44 45 1 0 44 46 2 0 45 47 1 0 47 48 1 0 47 49 2 0 34 44 1 0 22 37 1 0 1 41 1 0 M CHG 1 6 1 S SKP 5 ID FL7AACGL0126 FORMULA C30H33O19 EXACTMASS 697.161603874 AVERAGEMASS 697.57162 SMILES O(C5CO)C(C(O)C(C(O)5)O)OC(C1O)C(O)C(COC(CC(O)=O)=O)OC1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(c2)O)O M END