HMDB0060769 RDKit 3D 4-Hydroxyphenytoin glucuronide 52 55 0 0 0 0 0 0 0 0999 V2000 5.2353 -3.5067 1.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 -2.7266 0.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 -2.9946 -0.4416 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7303 -1.8973 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 -1.8311 -2.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 -0.8767 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3078 0.3883 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9535 1.0631 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 2.2213 0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 2.7211 -0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 2.0638 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 0.8794 -1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1128 -0.5464 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -1.1934 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -0.8222 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 0.1781 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 0.6038 0.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 0.1152 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 1.1888 -0.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 0.6834 -1.2318 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2878 1.7847 -1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 1.5575 -2.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2074 3.0708 -1.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2896 -0.4414 -0.6672 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8435 -1.6461 -1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3542 -0.4722 0.8243 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1816 0.5733 1.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 -0.3739 1.4793 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5970 -1.5540 2.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.8267 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.4819 1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0354 -1.4808 1.2639 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 -3.8348 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 0.6662 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 2.7782 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 3.6349 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 2.4293 -2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 0.4030 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 -1.9907 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 -1.3413 -0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 -0.7143 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 0.2928 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 3.3243 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3354 -0.2867 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0146 -2.4043 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7701 -1.4615 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1192 0.2256 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0294 0.4063 2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 -1.7403 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 1.6401 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 1.0178 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9672 -1.0825 2.2229 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 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 16 30 1 0 30 31 2 0 6 32 1 0 32 2 1 0 12 7 1 0 31 13 1 0 28 18 1 0 3 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 15 40 1 0 18 41 1 0 20 42 1 6 23 43 1 0 24 44 1 6 25 45 1 0 26 46 1 6 27 47 1 0 28 48 1 1 29 49 1 0 30 50 1 0 31 51 1 0 32 52 1 0 M END