HMDB0010364 RDKit 3D 11-Hydroxyprogesterone 11-glucuronide 74 78 0 0 0 0 0 0 0 0999 V2000 -3.3054 4.1010 -3.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 4.0162 -2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 4.8105 -1.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 3.0953 -2.0398 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4617 3.5409 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 2.9514 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 1.8704 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 0.6009 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 0.8194 2.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 0.0275 2.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0608 -1.3982 2.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 -2.3895 3.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -3.7775 2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -4.6708 3.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 -4.1291 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7314 -2.9074 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -1.6730 0.9252 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9340 -2.0470 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 -0.5220 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0701 -0.0139 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -0.7843 -0.6297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.4225 -0.0224 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0457 -0.0090 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2577 -0.5485 -1.1201 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4103 -1.9269 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6071 -2.3813 -1.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -2.8141 -1.9135 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0054 -0.3512 0.1803 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0689 1.0137 0.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 -1.1187 1.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9597 -2.3378 1.4266 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 -1.3325 0.9471 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1818 -1.2222 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3819 0.7819 -1.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 1.6471 -1.6695 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6984 1.2087 -2.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 5.1577 -3.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 3.9183 -4.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1762 3.4657 -3.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 3.0753 -2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 3.1465 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 4.6415 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 2.7217 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 3.7819 0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 2.3082 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 0.2380 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9739 1.8818 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 0.5829 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 0.0475 3.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 0.4158 2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4843 -2.1002 4.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0855 -4.8322 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 -4.7300 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0137 -3.1438 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 -2.6929 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4275 -1.7476 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4603 -1.6402 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 -3.1439 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -0.9153 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 0.7976 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 0.5450 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8378 0.0714 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -3.6186 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 -0.7947 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 1.5464 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 -0.5671 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 -2.0895 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7231 -2.4197 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 -0.2557 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 0.0328 -2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 1.4369 -1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 1.7096 -3.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 0.1152 -2.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7107 1.3462 -2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 20 34 1 0 34 35 1 0 35 36 1 6 35 4 1 0 35 7 1 0 19 8 1 0 32 22 1 0 17 11 1 0 1 37 1 0 1 38 1 0 1 39 1 0 4 40 1 6 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 12 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 18 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 20 60 1 0 22 61 1 1 24 62 1 6 27 63 1 0 28 64 1 6 29 65 1 0 30 66 1 1 31 67 1 0 32 68 1 6 33 69 1 0 34 70 1 0 34 71 1 0 36 72 1 0 36 73 1 0 36 74 1 0 M END