HMDB0251577 RDKit 3D Dolastatin 15 128131 0 0 0 0 0 0 0 0999 V2000 9.5331 -0.2332 3.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8621 -0.7861 2.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -1.1037 1.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3626 -2.2931 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 -2.1756 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6219 -3.1327 0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 -0.7951 0.2234 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -0.1727 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 0.9932 -0.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 -1.1262 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 -0.2309 -1.2779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 0.8647 -1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0016 1.4403 -2.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 1.4984 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 2.8027 -1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 2.2727 -3.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 0.8207 -2.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 0.7889 -1.3923 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 0.1929 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 -0.3809 -1.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 0.2776 0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -0.9376 1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 -0.7377 2.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 0.4833 3.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 0.2501 1.7938 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 0.1172 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -0.2371 0.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3506 0.2750 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 0.2327 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -0.9780 4.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 1.5477 4.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4634 -0.5732 1.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2586 -2.0354 2.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 -0.2443 1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3593 -1.3618 1.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 0.9492 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4506 0.4898 -0.0322 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5716 0.7351 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6181 1.3635 -1.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6947 0.3439 -2.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2406 -0.1692 -3.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3293 -1.3575 -3.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4257 -0.5225 -4.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6771 -0.4742 -1.6524 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3819 0.2114 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2571 -1.7334 -1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8452 1.9509 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9768 2.6596 2.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0828 1.3597 2.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -0.5598 -2.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6313 -1.1856 -3.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.3331 -3.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1072 -0.1109 1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9115 0.9473 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9152 0.4443 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5817 0.3036 -1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5422 -0.1858 -2.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8168 -0.5386 -2.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 -0.3975 -0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1798 0.0973 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8872 -0.9439 4.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 0.6685 3.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 -0.0080 4.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 -3.1949 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7617 -1.7730 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 1.6897 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 3.2373 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 3.5185 -1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1874 2.2779 -4.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 2.9038 -3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 0.6904 -3.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 0.0943 -3.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.1425 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -0.8970 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -1.8314 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -1.5831 3.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 -0.5529 3.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 1.3632 2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 0.4957 3.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 1.3228 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 0.1857 4.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 -1.4421 4.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 -0.6369 5.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -1.7839 4.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2543 1.2948 5.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 2.1579 3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 2.1582 4.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5164 -2.5409 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -2.2825 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 -2.4085 2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5496 1.4750 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1577 -0.0057 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2290 1.3586 -2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6969 0.6325 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7989 -2.3024 -3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 -1.5716 -4.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4532 -1.1779 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2916 -0.0879 -5.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4559 -1.6399 -4.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3845 -0.1426 -4.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5016 -0.4405 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9953 1.2016 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4336 0.3319 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7052 -1.9427 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6002 -2.5809 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1700 -1.7880 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3103 2.7750 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6441 2.0655 3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6052 3.5421 3.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1758 3.1666 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9697 0.2642 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1028 1.8000 3.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0155 1.6089 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 0.4435 -2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -0.4517 -4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 -2.0339 -4.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 -1.6407 -3.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6928 -2.3471 -3.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 -0.8348 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -1.5529 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5045 0.4704 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2416 1.7043 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4776 1.5083 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5929 0.6199 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2854 -0.2961 -3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5007 -0.9129 -3.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1267 -0.6636 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4823 0.2095 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 28 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 40 44 1 0 44 45 1 0 44 46 1 0 36 47 1 0 47 48 1 0 47 49 1 0 10 50 1 0 50 51 1 0 50 52 1 0 7 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 53 3 1 0 60 55 1 0 18 14 1 0 25 21 1 0 1 61 1 0 1 62 1 0 1 63 1 0 4 64 1 0 10 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 17 72 1 0 21 73 1 0 22 74 1 0 22 75 1 0 23 76 1 0 23 77 1 0 24 78 1 0 24 79 1 0 28 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 31 87 1 0 33 88 1 0 33 89 1 0 33 90 1 0 36 91 1 0 37 92 1 0 40 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 42 97 1 0 43 98 1 0 43 99 1 0 43100 1 0 45101 1 0 45102 1 0 45103 1 0 46104 1 0 46105 1 0 46106 1 0 47107 1 0 48108 1 0 48109 1 0 48110 1 0 49111 1 0 49112 1 0 49113 1 0 50114 1 0 51115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 52120 1 0 53121 1 0 54122 1 0 54123 1 0 56124 1 0 57125 1 0 58126 1 0 59127 1 0 60128 1 0 M END