9855089 -OEChem-04252409332D 166171 0 1 0 0 0 0 0999 V2000 14.8208 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2227 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6868 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4188 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6868 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4188 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2227 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4906 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2063 6.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4246 9.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2849 10.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 8.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 12.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8829 10.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7625 24.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 15.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.5745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 13.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 12.2698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5663 16.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5663 15.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4323 15.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4323 17.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8208 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6868 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2984 15.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2984 16.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0887 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0887 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2227 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3567 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5663 16.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 17.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6868 6.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3567 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9547 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4323 18.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1644 17.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4906 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2984 18.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8208 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2984 19.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8208 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4323 20.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6868 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1644 20.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 9.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6868 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1644 21.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 7.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 8.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4188 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4188 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0304 21.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0304 22.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5567 8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6868 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1509 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1644 23.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6926 9.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8964 23.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8208 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0169 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8964 24.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 14.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 13.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9557 16.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3543 15.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0338 14.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8309 14.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2838 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1499 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5104 15.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9089 16.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0898 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6257 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6858 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3567 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5663 17.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9463 16.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5663 16.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 18.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7563 18.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5294 17.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1499 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3567 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7427 4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3442 4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8954 18.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4744 16.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7013 17.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8544 17.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8006 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9537 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1806 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2237 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9558 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4188 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4917 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6858 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9537 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8353 18.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7423 20.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8954 20.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1223 19.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7013 20.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2019 9.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1499 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6275 21.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7530 7.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9558 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6730 5.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5674 21.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1563 8.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 8.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0853 12.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2883 12.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7524 9.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5494 9.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4744 23.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6275 23.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8544 22.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 9.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2959 9.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4334 23.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4222 11.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2193 11.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4154 11.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6184 11.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6844 24.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2859 24.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 9.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4199 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7625 25.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 14.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 11.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 11.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 14.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 13.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 13.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 43 1 0 0 0 0 2 38 1 0 0 0 0 2 44 1 0 0 0 0 38 3 1 1 0 0 0 3 45 1 0 0 0 0 32 4 1 6 0 0 0 4118 1 0 0 0 0 34 5 1 1 0 0 0 5119 1 0 0 0 0 43 6 1 1 0 0 0 6 50 1 0 0 0 0 36 7 1 6 0 0 0 7120 1 0 0 0 0 37 8 1 6 0 0 0 8121 1 0 0 0 0 39 9 1 6 0 0 0 9122 1 0 0 0 0 40 10 1 1 0 0 0 10123 1 0 0 0 0 11 52 1 0 0 0 0 11 57 1 0 0 0 0 12 53 2 0 0 0 0 13 59 1 0 0 0 0 13135 1 0 0 0 0 14 65 1 0 0 0 0 14 71 1 0 0 0 0 15 66 1 0 0 0 0 15 72 1 0 0 0 0 16 68 1 0 0 0 0 16 73 1 0 0 0 0 17 75 1 0 0 0 0 17155 1 0 0 0 0 18 77 1 0 0 0 0 18156 1 0 0 0 0 19 78 1 0 0 0 0 19157 1 0 0 0 0 20 79 1 0 0 0 0 20158 1 0 0 0 0 21 82 2 0 0 0 0 22 83 2 0 0 0 0 23 80 1 0 0 0 0 23 83 1 0 0 0 0 23 84 1 0 0 0 0 24 82 1 0 0 0 0 24 83 1 0 0 0 0 24 85 1 0 0 0 0 25 81 1 0 0 0 0 25 86 1 0 0 0 0 25159 1 0 0 0 0 26 80 1 0 0 0 0 26 86 2 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 35 2 0 0 0 0 30 46 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 1 0 0 0 31 91 1 0 0 0 0 32 34 1 0 0 0 0 32 92 1 0 0 0 0 33 35 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 34 36 1 0 0 0 0 34 95 1 0 0 0 0 35 47 1 0 0 0 0 36 43 1 0 0 0 0 36 96 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 97 1 0 0 0 0 38 98 1 0 0 0 0 39 40 1 0 0 0 0 39 99 1 0 0 0 0 40 44 1 0 0 0 0 40100 1 0 0 0 0 41101 1 0 0 0 0 41102 1 0 0 0 0 41103 1 0 0 0 0 42104 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 43107 1 0 0 0 0 44 48 1 6 0 0 0 44108 1 0 0 0 0 45109 1 0 0 0 0 45110 1 0 0 0 0 46 49 2 0 0 0 0 46111 1 0 0 0 0 47112 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 48115 1 0 0 0 0 48116 1 0 0 0 0 48117 1 0 0 0 0 49 51 1 0 0 0 0 49124 1 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 51 55 1 0 0 0 0 51 58 2 0 0 0 0 52 56 1 0 0 0 0 53 54 1 0 0 0 0 54 57 1 0 0 0 0 54 59 2 0 0 0 0 55125 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 56 61 2 0 0 0 0 56 62 1 0 0 0 0 57 60 2 0 0 0 0 58 63 1 0 0 0 0 58128 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 60129 1 0 0 0 0 61 66 1 0 0 0 0 61130 1 0 0 0 0 62 67 2 0 0 0 0 62131 1 0 0 0 0 63 69 2 0 0 0 0 63132 1 0 0 0 0 64 65 2 0 0 0 0 64133 1 0 0 0 0 66 68 2 0 0 0 0 67 68 1 0 0 0 0 67134 1 0 0 0 0 69 70 1 0 0 0 0 69136 1 0 0 0 0 70 74 1 0 0 0 0 70 76 2 0 0 0 0 71 75 1 0 0 0 0 71137 1 0 0 0 0 71138 1 0 0 0 0 72 77 1 0 0 0 0 72139 1 0 0 0 0 72140 1 0 0 0 0 73 78 1 0 0 0 0 73141 1 0 0 0 0 73142 1 0 0 0 0 74143 1 0 0 0 0 74144 1 0 0 0 0 74145 1 0 0 0 0 75146 1 0 0 0 0 75147 1 0 0 0 0 76 79 1 0 0 0 0 76148 1 0 0 0 0 77149 1 0 0 0 0 77150 1 0 0 0 0 78151 1 0 0 0 0 78152 1 0 0 0 0 79153 1 0 0 0 0 79154 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 84160 1 0 0 0 0 84161 1 0 0 0 0 84162 1 0 0 0 0 85163 1 0 0 0 0 85164 1 0 0 0 0 85165 1 0 0 0 0 86166 1 0 0 0 0 M END > 9855089 > 1 > 1940 > 23 > 12 > 20 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAWAAAAA8aJECAAAAAFiB0AAAHgAQCAAADhyxngc3vpfJlgCoA6dzdAKCiC23MKAJ2YHu3Midfz7GfT62eeqt5zdPuWfI7PzPIAABCAAIQABAAAIQABCAAAAAAAAAAA== > 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one;1,3-dimethyl-7H-purine-2,6-dione;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one;1,3-dimethyl-7H-purine-2,6-dione;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol > 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;1,3-dimethyl-7H-purine-2,6-dione;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;1,3-dimethyl-7H-purine-2,6-dione;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > 2-[3,4-bis(2-hydroxyethyloxy)phenyl]-7-(2-hydroxyethyloxy)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one;1,3-dimethyl-7H-purine-2,6-dione;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;theophylline > InChI=1S/C33H42O19.C20H30O.C7H8N4O2/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36;1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3;6,8-9,11-13,21H,7,10,14-15H2,1-5H3;3H,1-2H3,(H,8,9)/b;9-6+,12-11+,16-8+,17-13+;/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-;;/m0../s1 > AICYZZJBCLVGNV-PRJDMZKDSA-N > 1208.52642019 > C60H80N4O22 > 1209.3 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O.CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C.CN1C2=C(C(=O)N(C1=O)C)NC=N2 > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O.CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C.CN1C2=C(C(=O)N(C1=O)C)NC=N2 > 383 > 1208.52642019 > 0 > 86 > 10 > 0 > 4 > 0 > 0 > 3 > -1 > 1 5 255 > 40 10 5 11 52 8 11 57 8 23 80 8 23 83 8 24 82 8 24 83 8 25 81 8 25 86 8 26 80 8 26 86 8 38 3 5 31 45 5 32 4 6 44 48 6 34 5 5 50 52 8 50 53 8 53 54 8 54 57 8 54 59 8 56 61 8 56 62 8 57 60 8 59 64 8 43 6 5 60 65 8 61 66 8 62 67 8 64 65 8 66 68 8 67 68 8 36 7 6 37 8 6 80 81 8 81 82 8 39 9 6 $$$$