HMDB0260033 RDKit 3D 4-[(2-{Bis[(pyridin-2-YL)methyl]amino}ethyl)amino]-2-(6-hydroxy-3-oxo-3H-xant... 71 76 0 0 0 0 0 0 0 0999 V2000 -4.2614 0.7311 2.3995 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 0.5955 2.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7747 0.9884 4.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 0.0422 1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 -0.0987 2.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 -0.6354 1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 -1.0278 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -1.5561 -0.6687 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 -1.4807 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 -0.0536 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 0.1786 -0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.5272 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 2.1681 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 2.1380 -2.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 2.7544 -3.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.3949 -4.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 3.4185 -3.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 2.8086 -1.8924 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0961 -0.8365 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -1.8099 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8354 -1.3264 2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 -2.1922 3.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -3.5347 2.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -4.0051 1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 -3.1359 0.5918 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 -0.8624 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -0.3382 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7903 -0.1658 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6858 -1.1903 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 -2.3788 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -3.3894 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4988 -3.2405 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3717 -4.1356 0.9832 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9438 -2.0603 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0711 -1.0092 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4065 0.1158 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 1.1041 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0125 2.2817 -1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1214 3.3099 -1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4921 4.5102 -2.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8069 3.1618 -1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 2.0145 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 0.9957 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 1.9763 4.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 0.1968 3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 -0.7647 1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5536 -2.0239 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -2.1732 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 -1.8687 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 0.5720 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 0.3646 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 2.1541 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 1.5284 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 1.6310 -2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 2.7558 -4.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4882 3.8910 -4.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 3.9172 -3.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -1.3343 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1297 -0.3899 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 -0.2493 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.7772 4.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -4.2026 3.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -5.0822 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 -1.1533 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -2.4642 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9022 -4.3208 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9717 -1.9308 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0322 2.4001 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4039 4.7323 -2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 3.9627 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 1.8769 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 7 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 2 0 27 4 1 0 43 28 1 0 18 13 1 0 25 20 1 0 35 29 1 0 43 37 1 0 3 44 1 0 5 45 1 0 6 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 12 52 1 0 12 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 17 57 1 0 19 58 1 0 19 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 26 64 1 0 30 65 1 0 31 66 1 0 34 67 1 0 38 68 1 0 40 69 1 0 41 70 1 0 42 71 1 0 M END