HMDB0247486 RDKit 3D Mdz-glucuronide 57 61 0 0 0 0 0 0 0 0999 V2000 -2.6945 2.1671 1.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 1.7707 2.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 2.7257 2.8907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1213 0.3169 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -0.4538 1.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2287 -0.3795 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2117 -1.1836 -0.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 -0.3951 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 -1.2398 -1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -2.5734 -1.8211 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -3.0630 -2.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.0288 -2.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 -0.9502 -1.7085 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 0.3682 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 1.3302 -1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 2.6453 -1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 2.9183 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 4.5490 -1.1745 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3063 1.8888 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 0.6055 -1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 -0.3458 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 -0.0771 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7725 0.9515 1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 1.2196 2.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8319 0.3712 2.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 -0.6933 1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9201 -0.9140 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0254 -1.9824 -0.3330 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -1.5021 -1.2657 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 -2.0639 -2.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 -0.7940 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -1.8499 -1.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5081 -1.1511 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7536 -1.4882 0.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 0.1057 1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9995 1.1437 1.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4623 2.9628 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1017 0.0149 3.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 0.6861 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 0.5019 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -0.0981 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -4.0741 -2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 1.1407 -2.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 3.4876 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3285 2.0580 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 1.6210 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 2.0654 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6073 0.5590 3.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 -1.3591 1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -3.1305 -2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 -1.5895 -3.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1109 0.0559 -0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 -1.5568 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9931 -1.9868 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 -1.9710 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2376 -0.1353 2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7455 0.7995 0.4666 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 21 29 2 0 29 30 1 0 6 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 4 1 0 13 9 1 0 20 14 1 0 27 22 1 0 30 12 1 0 3 37 1 0 4 38 1 0 6 39 1 0 8 40 1 0 8 41 1 0 11 42 1 0 15 43 1 0 16 44 1 0 19 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 30 50 1 0 30 51 1 0 31 52 1 0 32 53 1 0 33 54 1 0 34 55 1 0 35 56 1 0 36 57 1 0 M END