HMDB0060634 RDKit 3D Mycophenolic acid glucuronide 63 65 0 0 0 0 0 0 0 0999 V2000 3.7478 1.9346 1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 2.2058 0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 1.9132 1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 2.8591 2.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 4.1965 2.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4452 2.5629 2.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 1.3358 2.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 0.3925 1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -0.8580 1.7371 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -1.2012 0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -1.3883 1.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 -1.3327 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2974 -2.3596 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1871 -2.4081 -0.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 -3.2566 1.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 -1.3191 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -1.7196 -1.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5285 -2.2559 -1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 -3.4835 -1.8566 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -2.4225 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 -3.5369 0.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 0.6925 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -0.3482 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -0.0226 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 0.1845 -1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 0.5128 -3.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 0.1268 -1.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.9261 -2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 -0.9068 -2.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9844 -0.1161 -1.6385 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -1.7874 -3.1899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 1.3223 3.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 0.3832 3.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 2.5878 4.1088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 3.3924 3.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 1.1703 2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5755 1.7331 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 2.8635 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0323 4.3888 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 4.9581 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 4.3635 3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 -0.2856 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 -0.3442 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 -4.2756 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 -0.2682 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2617 -0.9725 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 -1.7420 -2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 -3.5600 -2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -2.6302 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -4.2770 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -0.2300 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -1.3444 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.0480 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.4674 -3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 1.1095 -3.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 1.0643 -3.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 -0.0571 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 1.1257 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -1.9165 -2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 -0.6677 -3.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1902 -2.7868 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 3.7479 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 4.2987 3.1095 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 4 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 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 7 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 22 3 1 0 35 6 1 0 20 10 1 0 1 36 1 0 1 37 1 0 1 38 1 0 5 39 1 0 5 40 1 0 5 41 1 0 10 42 1 0 12 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 28 59 1 0 28 60 1 0 31 61 1 0 35 62 1 0 35 63 1 0 M END