Mol:FL1CBEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 47 0 0 0 0 0 0 0 0999 V2000 -0.2642 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2642 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0226 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0226 2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8638 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 2.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1003 1.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0226 2.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9508 -0.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 -0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 0.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 -1.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 -1.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6878 -0.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2655 -1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7611 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9461 -1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4982 -1.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1003 -1.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4318 -2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 -2.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 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 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 13 18 1 0 0 0 0 5 19 1 0 0 0 0 18 20 1 0 0 0 0 14 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 26 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 34 39 1 0 0 0 0 27 17 1 0 0 0 0 S SKP 5 ID FL1CBEGS0001 FORMULA C29H36O15 EXACTMASS 624.2054204819999 AVERAGEMASS 624.58714 SMILES c(C(=O)C=Cc(c4)cc(O)c(c4)OC)(c1OC)c(cc(OC(O2)C(O)C(O)C(O)C2COC(O3)C(C(C(O)C(C)3)O)O)c1)O M END