HMDB0061133 RDKit 3D Clofazimine glucuronide 76 81 0 0 0 0 0 0 0 0999 V2000 1.2878 -0.2476 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 0.3660 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 -0.5006 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -1.5648 0.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 -1.2693 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 -1.6717 1.3505 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9025 -1.1337 1.2545 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8962 0.2291 1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9528 0.8958 1.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 0.7623 2.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3764 -1.1193 -0.1717 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7407 -1.3759 -0.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 -2.2438 -0.8715 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1890 -2.4367 -2.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1411 -1.8607 -0.9903 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3718 -2.9409 -1.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 1.4725 -0.0353 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 1.3258 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 0.0942 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7157 -0.0952 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2252 -1.3325 -0.2328 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3421 -2.4236 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 -3.2717 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 -4.3717 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 -4.6415 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 -6.0379 -0.7516 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 -3.7929 -1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -2.6843 -1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 -1.4504 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 -2.7015 -0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4888 -2.8894 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3052 -1.8008 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7465 -0.5609 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 -0.3571 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 0.9016 0.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 1.0735 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 2.3432 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 2.4387 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9696 3.6687 0.4366 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 4.9071 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 5.2818 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 6.5099 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8971 7.3907 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 8.9381 0.9135 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 7.0626 1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 5.8425 1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1693 -1.3294 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 0.0421 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 0.1894 -2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 0.9510 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -0.7825 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 0.0921 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 -0.1773 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -1.7018 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 0.5213 3.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 -0.1401 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 -0.6727 -0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 -3.1723 -0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2571 -1.5712 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.0692 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -3.5649 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 -0.7820 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6282 -3.0995 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 -5.0263 1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3515 -4.0001 -2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -2.0251 -2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 -3.5342 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -3.8747 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3923 -1.9427 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3719 0.3050 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 3.1623 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 3.7311 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 4.6267 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1714 6.7734 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 7.7603 2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 5.5834 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 2 17 1 0 17 18 2 0 18 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 25 27 1 0 27 28 2 0 21 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 43 45 1 0 45 46 2 0 15 5 1 0 38 18 1 0 46 40 1 0 36 20 1 0 28 22 1 0 34 29 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 5 53 1 0 7 54 1 1 10 55 1 0 11 56 1 6 12 57 1 0 13 58 1 1 14 59 1 0 15 60 1 6 16 61 1 0 19 62 1 0 23 63 1 0 24 64 1 0 27 65 1 0 28 66 1 0 30 67 1 0 31 68 1 0 32 69 1 0 33 70 1 0 37 71 1 0 39 72 1 0 41 73 1 0 42 74 1 0 45 75 1 0 46 76 1 0 M END