HMDB0061172 RDKit 3D O-Desmethylvenlafaxine glucuronide 64 66 0 0 0 0 0 0 0 0999 V2000 -5.0187 0.1459 -2.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 -0.8552 -1.2851 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1342 -2.1327 -1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -0.9502 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 0.1985 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 -0.1539 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 0.6567 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 0.3001 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 -0.8408 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2375 0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 -0.6129 -0.2204 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7182 -1.4174 -1.1195 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 -0.6409 -1.7415 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2621 -1.3136 -2.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -0.8119 -3.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.5627 -3.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7395 -0.3286 -0.6712 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8924 0.2346 -1.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 0.6065 0.3113 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9372 1.0837 1.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -0.2018 0.9460 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1981 0.5419 1.8403 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 -1.6528 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 -1.3026 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 0.5392 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 -0.5398 1.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 1.6786 1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 2.0492 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 2.4364 2.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 1.2428 2.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5823 1.0372 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3237 0.1603 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -0.1268 -2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 1.1566 -1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 -2.0616 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -2.9426 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4392 -2.4429 -2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1362 -1.8528 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -1.0918 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 1.1111 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.5750 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 0.9610 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 0.3255 -0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 0.3176 -2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 -2.6366 -3.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 -1.2873 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5329 -0.5319 -1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5861 1.4109 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 1.3508 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 -1.1214 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 0.0722 2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -2.5685 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 -1.9873 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 -1.2617 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 2.5827 0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 1.3116 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 1.2682 3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 2.9618 3.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3544 3.3175 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4987 2.6300 4.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 0.3618 3.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1037 1.4357 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3392 0.3651 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 2.0416 0.5146 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 2 0 7 8 1 0 8 9 2 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 5 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 24 6 1 0 31 25 1 0 21 11 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 7 41 1 0 8 42 1 0 11 43 1 6 13 44 1 6 16 45 1 0 17 46 1 1 18 47 1 0 19 48 1 6 20 49 1 0 21 50 1 1 22 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 28 58 1 0 29 59 1 0 29 60 1 0 30 61 1 0 30 62 1 0 31 63 1 0 31 64 1 0 M END