HMDB0060904 RDKit 3D Haloperidol glucuronide 69 72 0 0 0 0 0 0 0 0999 V2000 5.3337 2.7767 -2.3514 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0596 2.0459 -1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 1.5569 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6184 0.2008 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 -0.5857 -1.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -0.9428 -0.7033 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 0.1419 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1749 -0.3763 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -1.0267 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 -0.2657 -0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 0.3086 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 1.6745 0.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 2.2832 -0.2842 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7524 3.7445 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 4.5455 -0.8722 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 4.2450 0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 2.0794 0.4066 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2906 1.9088 -0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3087 0.8304 1.2727 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5544 1.1340 2.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4896 -0.1782 0.4719 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0432 -0.2480 -0.7869 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -2.3280 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -2.9041 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2822 -4.1047 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -4.7326 1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6193 -6.2599 1.5805 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -4.1619 1.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -2.9552 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -1.4449 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 -2.0692 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0646 1.6527 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3629 2.0765 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3464 1.6978 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0184 0.8618 1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9601 0.4749 2.3334 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7192 0.4279 1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7635 0.8245 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0054 2.2405 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 1.6399 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 -0.4130 -1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 0.3418 -2.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -0.0495 -2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -1.5260 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 0.9493 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 0.5189 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -1.1115 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 0.4297 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6709 0.0425 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0416 1.9744 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 4.7552 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 2.9517 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0341 1.3689 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3007 0.4487 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 2.1085 2.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 -1.1428 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1585 -1.1412 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0279 -2.4316 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0431 -4.5411 -0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -4.7172 2.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 -2.5317 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3136 -0.4983 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.0969 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -2.7955 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 -2.6330 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6643 2.7253 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 2.0172 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4846 -0.2293 2.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 0.4378 0.8090 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 9 30 1 0 30 31 1 0 2 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 2 0 31 6 1 0 38 32 1 0 21 11 1 0 29 23 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 11 49 1 0 13 50 1 6 16 51 1 0 17 52 1 1 18 53 1 0 19 54 1 1 20 55 1 0 21 56 1 1 22 57 1 0 24 58 1 0 25 59 1 0 28 60 1 0 29 61 1 0 30 62 1 0 30 63 1 0 31 64 1 0 31 65 1 0 33 66 1 0 34 67 1 0 37 68 1 0 38 69 1 0 M END