HMDB0060897 RDKit 3D Diphenhydramine N-glucuronide 61 63 0 0 0 0 0 0 0 0999 V2000 0.5281 0.2161 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 0.7762 0.8888 N 0 0 0 0 0 4 0 0 0 0 0 0 2.5927 1.2552 1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8018 1.9163 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 1.6187 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 1.0077 0.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5371 0.7127 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -0.7533 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 -1.4218 -1.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 -2.7800 -1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -3.5041 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 -2.8664 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6529 -1.5024 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 1.4184 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 2.7418 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7875 3.3702 1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.6975 1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 1.3696 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9253 0.7506 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -0.2847 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 -1.2867 0.7172 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 -1.7785 0.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1570 -2.5014 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -2.5657 2.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3957 -3.1152 1.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -0.8265 -0.2101 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5969 -1.5922 -0.6934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 0.0014 -1.2893 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5270 1.2783 -1.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 0.1057 -1.2599 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9402 -0.6330 -2.3606 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 -0.6820 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 0.9713 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1253 -0.1598 2.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1936 0.4480 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 1.8212 2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 2.0156 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 2.5934 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 2.5365 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 1.0050 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 2.5871 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 1.0397 -1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 -0.8578 -2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 -3.3075 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 -4.5820 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7614 -3.3983 1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 -0.9991 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 3.2958 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7615 4.4167 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8497 3.1836 1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9574 0.8453 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9442 -0.2899 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 -0.7086 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -2.5644 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 -2.5913 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 -0.1804 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2887 -1.0218 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 -0.4134 -2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 1.3392 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 1.1721 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 -1.3390 -2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 2 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 13 8 1 0 19 14 1 0 30 20 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 7 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 22 54 1 6 25 55 1 0 26 56 1 1 27 57 1 0 28 58 1 6 29 59 1 0 30 60 1 6 31 61 1 0 M CHG 1 2 1 M END