HMDB0001399 RDKit 3D dTDP-4-oxo-6-deoxy-D-glucose 59 61 0 0 0 0 0 0 0 0999 V2000 7.9525 0.5307 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 -0.2054 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9164 0.1206 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 -0.5673 -1.1292 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 -0.2558 -1.5204 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0673 -1.4581 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 -0.8423 -0.2507 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7734 -1.4183 -0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 0.6006 -0.7149 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3907 1.4554 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 1.1148 0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 2.0065 1.4882 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7364 1.2667 2.8134 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1251 3.5306 1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 2.1237 1.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 1.8834 -0.5276 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4720 1.3944 -1.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2229 3.3483 -1.2269 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 0.7528 -0.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 0.3444 0.3004 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9387 0.7435 0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7407 -0.1827 -0.4356 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1178 0.4267 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8706 -1.3486 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9177 -1.9160 0.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6112 -1.7982 1.1412 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6348 -1.6221 2.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -1.1250 0.4705 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2064 -1.8049 -0.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.8276 -0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9154 -1.5714 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -2.2426 -2.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1737 -1.9342 -1.4352 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8265 -1.2474 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0242 -1.5541 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 0.3985 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7552 0.0722 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7454 1.6016 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 0.9486 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -0.0634 -2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 -2.2087 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 -1.9132 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.8806 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 -1.3861 0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5108 0.6215 -1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8891 1.2180 1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5623 2.5161 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 4.1961 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 3.9515 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2294 0.8451 1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3948 -0.4902 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9144 -0.3626 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1513 0.9344 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2742 1.1306 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5305 -2.8942 0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 -2.3576 2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 -1.3001 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -1.2359 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6684 -2.7183 -1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 9 30 1 0 4 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 2 0 34 2 1 0 30 5 1 0 28 20 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 5 40 1 6 6 41 1 0 6 42 1 0 7 43 1 1 8 44 1 0 9 45 1 6 10 46 1 0 10 47 1 0 14 48 1 0 18 49 1 0 20 50 1 1 22 51 1 6 23 52 1 0 23 53 1 0 23 54 1 0 26 55 1 1 27 56 1 0 28 57 1 1 29 58 1 0 33 59 1 0 M END