51040059 -OEChem-04252423252D 171180 0 1 0 0 0 0 0999 V2000 17.7101 11.1155 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 7.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 4.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1318 8.8020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7531 10.7031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5319 6.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 4.8900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5319 5.0853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8537 6.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8920 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9040 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7643 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7920 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6801 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7722 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6723 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0361 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4639 9.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1103 9.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7746 10.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4209 9.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8211 7.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8426 7.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0638 11.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0423 11.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3959 12.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 5.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1156 5.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3529 12.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7066 13.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8537 5.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6851 13.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 3.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5314 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4246 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9170 9.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0814 9.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1308 8.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7241 8.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7540 11.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1608 10.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9679 9.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8035 10.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 7.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4349 7.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8220 8.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2288 7.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7892 12.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7355 5.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9596 12.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2925 13.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8777 14.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0997 3.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 3.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3397 3.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 7.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4507 7.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 6.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 76 1 0 0 0 0 40 2 1 1 0 0 0 56 2 1 6 0 0 0 3 41 2 0 0 0 0 4 56 1 0 0 0 0 4 59 1 0 0 0 0 5 55 1 0 0 0 0 5133 1 0 0 0 0 6 55 2 0 0 0 0 57 7 1 6 0 0 0 61 7 1 1 0 0 0 58 8 1 1 0 0 0 8138 1 0 0 0 0 60 9 1 6 0 0 0 9139 1 0 0 0 0 10 61 1 0 0 0 0 10 65 1 0 0 0 0 11 62 1 0 0 0 0 11142 1 0 0 0 0 12 62 2 0 0 0 0 63 13 1 6 0 0 0 13145 1 0 0 0 0 64 14 1 1 0 0 0 14146 1 0 0 0 0 66 15 1 6 0 0 0 15147 1 0 0 0 0 16 67 1 0 0 0 0 16148 1 0 0 0 0 17 67 2 0 0 0 0 18 80 2 0 0 0 0 19 83 2 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 20 72 1 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 73 1 0 0 0 0 22 75 1 0 0 0 0 22 79 1 0 0 0 0 23 78 1 0 0 0 0 23 83 1 0 0 0 0 23 85 1 0 0 0 0 24 78 1 0 0 0 0 24 79 2 0 0 0 0 25 80 1 0 0 0 0 25 83 1 0 0 0 0 25 86 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 26 42 1 1 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 38 1 0 0 0 0 27 44 1 1 0 0 0 28 41 1 0 0 0 0 28 87 1 6 0 0 0 29 34 1 0 0 0 0 29 37 1 0 0 0 0 29 45 1 6 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 88 1 6 0 0 0 31 33 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 32 40 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 35 1 0 0 0 0 34 46 2 0 0 0 0 35 36 1 0 0 0 0 35 47 1 0 0 0 0 35 93 1 1 0 0 0 36 39 1 0 0 0 0 36 48 1 0 0 0 0 36 53 1 1 0 0 0 37 39 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 38 43 1 0 0 0 0 38 96 1 0 0 0 0 38 97 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 40 43 1 0 0 0 0 40100 1 0 0 0 0 41 46 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 43104 1 0 0 0 0 43105 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 44108 1 0 0 0 0 45109 1 0 0 0 0 45110 1 0 0 0 0 45111 1 0 0 0 0 46112 1 0 0 0 0 47 49 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 48 52 1 0 0 0 0 48115 1 0 0 0 0 48116 1 0 0 0 0 49 52 1 0 0 0 0 49 54 1 6 0 0 0 49 55 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 50119 1 0 0 0 0 51120 1 0 0 0 0 51121 1 0 0 0 0 51122 1 0 0 0 0 52123 1 0 0 0 0 52124 1 0 0 0 0 53125 1 0 0 0 0 53126 1 0 0 0 0 53127 1 0 0 0 0 54128 1 0 0 0 0 54129 1 0 0 0 0 54130 1 0 0 0 0 56 57 1 0 0 0 0 56131 1 0 0 0 0 57 58 1 0 0 0 0 57132 1 0 0 0 0 58 60 1 0 0 0 0 58134 1 0 0 0 0 59 60 1 0 0 0 0 59 62 1 1 0 0 0 59135 1 0 0 0 0 60136 1 0 0 0 0 61 63 1 0 0 0 0 61137 1 0 0 0 0 63 64 1 0 0 0 0 63140 1 0 0 0 0 64 66 1 0 0 0 0 64141 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 1 0 0 0 65143 1 0 0 0 0 66144 1 0 0 0 0 68 70 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 69 71 1 0 0 0 0 69151 1 0 0 0 0 69152 1 0 0 0 0 70153 1 0 0 0 0 70154 1 0 0 0 0 71155 1 0 0 0 0 71156 1 0 0 0 0 72 73 1 0 0 0 0 72157 1 0 0 0 0 72158 1 0 0 0 0 73159 1 0 0 0 0 73160 1 0 0 0 0 74 76 1 0 0 0 0 74 77 2 0 0 0 0 75 78 2 0 0 0 0 75 80 1 0 0 0 0 76 81 2 0 0 0 0 77 82 1 0 0 0 0 77161 1 0 0 0 0 79162 1 0 0 0 0 81 84 1 0 0 0 0 81163 1 0 0 0 0 82 84 2 0 0 0 0 82164 1 0 0 0 0 84165 1 0 0 0 0 85166 1 0 0 0 0 85167 1 0 0 0 0 85168 1 0 0 0 0 86169 1 0 0 0 0 86170 1 0 0 0 0 86171 1 0 0 0 0 M END > 51040059 > 1 > 2330 > 21 > 8 > 11 > AAADcfB/vgAEAAAAAAAAAAAAAAAAAWAAAAA8eNGjAAAAAFjBwAAAHgIACAAADx7xlic3+JcMFgCoA6fzfAKCgC03F6AJ2AHodsiZeD7B27X2YIhtpyLPyWfa7PzPgAAAAAAAABDAAAYAADAAIAAAAAAAAA== > (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;7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-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;7-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-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;7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-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;7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-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;7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-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;7-[2-[4-(2-chlorophenyl)piperazino]ethyl]-1,3-dimethyl-xanthine > InChI=1S/C42H62O16.C19H23ClN6O2/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;1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)12-9-24-7-10-25(11-8-24)15-6-4-3-5-14(15)20/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 > QHWHBJZJZUSJQY-OOFFSTKBSA-N > 1224.5608876 > C61H85ClN6O18 > 1225.8 > 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=CC=C4Cl > 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=CC=C4Cl > 332 > 1224.5608876 > 0 > 86 > 19 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 63 13 6 64 14 5 66 15 6 40 2 5 56 2 6 22 75 8 22 79 8 23 78 8 23 83 8 24 78 8 24 79 8 25 80 8 25 83 8 26 42 5 27 44 5 28 87 6 29 45 6 30 88 6 35 93 5 36 53 5 49 54 6 59 62 5 65 67 5 57 7 6 61 7 5 74 76 8 74 77 8 75 78 8 75 80 8 76 81 8 77 82 8 58 8 5 81 84 8 82 84 8 60 9 6 $$$$