51040264 -OEChem-04252404222D 173182 0 1 0 0 0 0 0999 V2000 15.4162 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7212 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6842 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4239 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9374 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4162 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6842 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9521 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5502 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0861 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9521 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1483 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1483 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4162 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6842 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8181 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5235 14.1586 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8772 14.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 8.2493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3024 10.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 6.1420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 4.5325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5450 13.9524 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.3173 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4412 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4532 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3134 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3412 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2292 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3538 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2413 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4455 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4254 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3214 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2215 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4912 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2255 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4162 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5852 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3014 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4787 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5771 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2989 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5814 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4715 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3256 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4506 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3537 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8604 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3839 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1816 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4507 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9373 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5502 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5502 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6842 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8181 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8181 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4162 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9521 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2823 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2823 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5502 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4162 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6842 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6596 8.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 8.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 9.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 9.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 7.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 7.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 11.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 11.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5916 11.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 5.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2559 12.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9022 12.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2344 13.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1877 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0806 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8413 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4315 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4571 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8509 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6993 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4283 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8327 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2889 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8359 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4368 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9538 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4114 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9116 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1914 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8691 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2629 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8891 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0413 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1936 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9099 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4042 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0433 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8587 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2737 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9360 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5369 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3585 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9737 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3490 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3259 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1746 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3950 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7793 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9811 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4978 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7149 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8654 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4411 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8308 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4603 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5502 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0871 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1056 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2211 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8181 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2812 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9532 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9521 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8192 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2823 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5492 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0133 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8793 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1483 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6852 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9532 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2211 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6801 7.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2734 8.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4663 9.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6307 8.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5172 9.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3528 9.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 10.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 10.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 6.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9842 7.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3713 7.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 7.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 11.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0056 10.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 5.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 13.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5089 12.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 3.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 3.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42 1 1 1 0 0 0 58 1 1 6 0 0 0 2 43 2 0 0 0 0 3 58 1 0 0 0 0 3 61 1 0 0 0 0 4 57 1 0 0 0 0 4135 1 0 0 0 0 5 57 2 0 0 0 0 59 6 1 6 0 0 0 63 6 1 1 0 0 0 60 7 1 1 0 0 0 7140 1 0 0 0 0 62 8 1 6 0 0 0 8141 1 0 0 0 0 9 63 1 0 0 0 0 9 67 1 0 0 0 0 10 64 1 0 0 0 0 10144 1 0 0 0 0 11 64 2 0 0 0 0 65 12 1 6 0 0 0 12147 1 0 0 0 0 66 13 1 1 0 0 0 13148 1 0 0 0 0 68 14 1 6 0 0 0 14149 1 0 0 0 0 15 69 1 0 0 0 0 15150 1 0 0 0 0 16 69 2 0 0 0 0 17 82 2 0 0 0 0 18 86 2 0 0 0 0 19 27 1 0 0 0 0 20 27 2 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 21 74 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 22 76 1 0 0 0 0 23 75 1 0 0 0 0 23 77 1 0 0 0 0 23 81 1 0 0 0 0 24 80 1 0 0 0 0 24 86 1 0 0 0 0 24 87 1 0 0 0 0 25 80 1 0 0 0 0 25 81 2 0 0 0 0 26 82 1 0 0 0 0 26 86 1 0 0 0 0 26 88 1 0 0 0 0 27 85 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 33 1 0 0 0 0 28 44 1 1 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 40 1 0 0 0 0 29 46 1 1 0 0 0 30 43 1 0 0 0 0 30 89 1 6 0 0 0 31 36 1 0 0 0 0 31 39 1 0 0 0 0 31 47 1 6 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 90 1 6 0 0 0 33 35 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 42 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 36 37 1 0 0 0 0 36 48 2 0 0 0 0 37 38 1 0 0 0 0 37 49 1 0 0 0 0 37 95 1 1 0 0 0 38 41 1 0 0 0 0 38 50 1 0 0 0 0 38 55 1 1 0 0 0 39 41 1 0 0 0 0 39 96 1 0 0 0 0 39 97 1 0 0 0 0 40 45 1 0 0 0 0 40 98 1 0 0 0 0 40 99 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 45 1 0 0 0 0 42102 1 0 0 0 0 43 48 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 44105 1 0 0 0 0 45106 1 0 0 0 0 45107 1 0 0 0 0 46108 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 47111 1 0 0 0 0 47112 1 0 0 0 0 47113 1 0 0 0 0 48114 1 0 0 0 0 49 51 1 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 50 54 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 51 54 1 0 0 0 0 51 56 1 6 0 0 0 51 57 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 53122 1 0 0 0 0 53123 1 0 0 0 0 53124 1 0 0 0 0 54125 1 0 0 0 0 54126 1 0 0 0 0 55127 1 0 0 0 0 55128 1 0 0 0 0 55129 1 0 0 0 0 56130 1 0 0 0 0 56131 1 0 0 0 0 56132 1 0 0 0 0 58 59 1 0 0 0 0 58133 1 0 0 0 0 59 60 1 0 0 0 0 59134 1 0 0 0 0 60 62 1 0 0 0 0 60136 1 0 0 0 0 61 62 1 0 0 0 0 61 64 1 1 0 0 0 61137 1 0 0 0 0 62138 1 0 0 0 0 63 65 1 0 0 0 0 63139 1 0 0 0 0 65 66 1 0 0 0 0 65142 1 0 0 0 0 66 68 1 0 0 0 0 66143 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 1 0 0 0 67145 1 0 0 0 0 68146 1 0 0 0 0 70 72 1 0 0 0 0 70151 1 0 0 0 0 70152 1 0 0 0 0 71 73 1 0 0 0 0 71153 1 0 0 0 0 71154 1 0 0 0 0 72155 1 0 0 0 0 72156 1 0 0 0 0 73157 1 0 0 0 0 73158 1 0 0 0 0 74 75 1 0 0 0 0 74159 1 0 0 0 0 74160 1 0 0 0 0 75161 1 0 0 0 0 75162 1 0 0 0 0 76 78 2 0 0 0 0 76 79 1 0 0 0 0 77 80 2 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 78163 1 0 0 0 0 79 84 2 0 0 0 0 79164 1 0 0 0 0 81165 1 0 0 0 0 83 85 2 0 0 0 0 83166 1 0 0 0 0 84 85 1 0 0 0 0 84167 1 0 0 0 0 87168 1 0 0 0 0 87169 1 0 0 0 0 87170 1 0 0 0 0 88171 1 0 0 0 0 88172 1 0 0 0 0 88173 1 0 0 0 0 M CHG 2 19 -1 27 1 M END > 51040264 > 1 > 2400 > 23 > 8 > 11 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAWAAAAA8eNGjAAAAAFjBwAAAHgAECAAADxzxlgc3+JccVgCpA6fzfwKCgC03EqAp2AHodMqZeD7A2bW2YIhtpyLPyWfa7PzPgACAAAAAAADAAQYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione > (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)-1-piperazinyl]ethyl]purine-2,6-dione > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazino]ethyl]xanthine > InChI=1S/C42H62O16.C19H23N7O4/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;1-21-17-16(18(27)22(2)19(21)28)25(13-20-17)12-9-23-7-10-24(11-8-23)14-3-5-15(6-4-14)26(29)30/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);3-6,13H,7-12H2,1-2H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 > JMCMDDOYLXKNGE-OOFFSTKBSA-N > 1235.58493813 > C61H85N7O20 > 1236.4 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] > C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] > 378 > 1235.58493813 > 0 > 88 > 19 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 42 1 5 58 1 6 65 12 6 66 13 5 68 14 6 23 77 8 23 81 8 24 80 8 24 86 8 25 80 8 25 81 8 26 82 8 26 86 8 28 44 5 29 46 5 30 89 6 31 47 6 32 90 6 37 95 5 38 55 5 51 56 6 59 6 6 63 6 5 61 64 5 67 69 5 60 7 5 76 78 8 76 79 8 77 80 8 77 82 8 78 83 8 79 84 8 62 8 6 83 85 8 84 85 8 $$$$