HMDB0250086 RDKit 3D Chloramphenicol glucuronide 52 53 0 0 0 0 0 0 0 0999 V2000 -2.6993 4.2928 0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 4.0513 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 2.7461 1.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 1.6106 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 1.1104 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 0.7810 0.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 0.3056 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7818 -0.9842 0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6895 -1.6418 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0374 -2.9274 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 -3.2378 1.0397 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 -3.7782 -0.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -0.8900 -0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9532 -1.2358 0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8131 0.5863 -1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0487 1.1573 -0.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 1.1300 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 0.9377 1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 0.4685 1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 0.7144 2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7283 -0.6925 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -0.5902 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 -1.7100 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 -2.9621 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 -4.0650 -1.7538 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1761 -5.1813 -1.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6909 -3.9557 -3.0109 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2052 -3.0539 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -1.9611 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 5.1415 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 4.8300 3.5042 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 6.6591 1.4145 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5048 2.5751 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 1.9415 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 0.2419 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 1.9394 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 0.3004 -1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 -1.9066 -1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 -4.4152 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 -1.2394 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8296 -1.0217 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 0.9422 -2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 1.1329 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.1997 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4199 1.7806 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 0.0152 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 -0.1459 2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 0.3776 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0815 -1.5801 -2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 -4.0497 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -2.0442 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 5.3008 1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 4 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 2 0 2 30 1 0 30 31 1 0 30 32 1 0 17 7 1 0 29 21 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 7 37 1 0 9 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 22 48 1 0 23 49 1 0 28 50 1 0 29 51 1 0 30 52 1 0 M CHG 2 25 1 27 -1 M END