HMDB0000307 RDKit 3D 1beta-Hydroxycholic acid 70 73 0 0 0 0 0 0 0 0999 V2000 4.9552 -0.5652 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 -0.2698 0.0618 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4322 0.7553 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 0.4882 -1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 0.4225 -0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 0.8247 0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0477 -0.1467 -1.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -0.1147 0.6604 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4244 1.0036 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 1.7870 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.6274 0.6434 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8392 0.8106 -0.0578 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5131 -0.5646 0.0833 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6500 -1.6597 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -1.6631 -0.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8789 -2.0867 1.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.2883 -0.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3989 0.0534 -1.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 -0.6041 -0.4259 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0279 -1.5454 -1.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 0.7518 -0.8759 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8245 0.7914 -1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7177 0.1743 -0.2068 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9508 0.9770 0.9031 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2553 -1.2021 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 -1.1772 0.6443 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4028 -2.5037 0.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0662 1.8518 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 1.7727 0.7088 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7934 1.2891 2.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 -1.2346 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 0.2835 1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 -1.2472 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 -1.2491 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 1.7643 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 1.0169 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 1.3793 -2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 -0.3572 -2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9185 0.3983 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -1.0440 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9511 0.6823 2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 1.6101 1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8615 2.5382 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7255 2.2582 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 0.0855 1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 1.1448 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 -0.7239 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -1.8425 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -2.6111 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3377 -2.3248 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -3.0664 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 -0.5829 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.2758 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 1.1306 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 -2.5827 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4643 -1.1237 -2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 -1.5267 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 0.9882 -1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0158 0.2865 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1152 1.8517 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7206 0.0185 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5248 1.7466 0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5067 -1.9888 -0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8497 -1.4395 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 -0.6228 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -2.8441 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 2.8136 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 1.9878 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 2.7671 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 1.9463 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 2 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 1 0 15 16 1 0 15 17 1 0 17 18 1 6 13 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 21 28 1 0 28 29 1 0 29 30 1 0 17 8 1 0 26 19 1 0 17 11 1 0 29 12 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 6 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 7 39 1 0 8 40 1 1 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 1 12 46 1 6 13 47 1 1 14 48 1 0 14 49 1 0 15 50 1 6 16 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 20 55 1 0 20 56 1 0 20 57 1 0 21 58 1 6 22 59 1 0 22 60 1 0 23 61 1 6 24 62 1 0 25 63 1 0 25 64 1 0 26 65 1 1 27 66 1 0 28 67 1 0 28 68 1 0 29 69 1 1 30 70 1 0 M END