HMDB0013158 RDKit 3D 1b,3a,7b-Trihydroxy-5b-cholanoic acid 70 73 0 0 0 0 0 0 0 0999 V2000 1.7539 -1.6990 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2053 -0.3179 0.0783 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2941 -0.4245 1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -1.1990 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -0.8172 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 0.4687 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 0.1480 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.3149 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 1.9287 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 0.7413 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 0.4378 0.1001 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9199 0.1277 -1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3572 -0.3493 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7855 -0.6984 0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8183 0.3383 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 1.2758 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 2.5144 -0.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8959 0.8480 -1.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 1.2491 -1.6796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0828 0.5539 -2.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 1.5779 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 0.2723 -0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2242 0.4896 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3182 0.5352 1.1417 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5441 1.8235 1.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 -0.0739 1.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7485 -1.2808 1.0470 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0081 -1.9020 0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1146 -0.8821 -0.2955 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5149 -2.0964 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -2.2274 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 -2.3228 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -1.7618 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -1.0064 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.5493 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5975 -0.9604 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -2.2810 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -1.5767 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 1.1489 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 -0.7072 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 2.0100 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 0.8869 -2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 2.4824 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 2.6074 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 1.0417 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 1.4972 0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5893 -0.5492 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 -1.3294 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 0.2442 2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8177 -1.3649 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -1.4173 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8471 0.9353 1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8249 -0.2156 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -0.1261 -1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 2.2088 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4642 0.8353 -3.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 2.3081 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7801 1.9162 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0127 0.0802 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5972 1.4563 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -0.2877 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 -0.0652 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5374 1.9989 1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -0.4339 2.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 0.6522 2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 -2.0595 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -1.9918 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -1.8617 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -2.9472 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5876 -2.2706 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 6 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 6 7 2 1 0 29 22 1 0 10 2 1 0 29 5 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 6 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 11 46 1 6 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 18 54 1 0 19 55 1 6 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 24 62 1 6 25 63 1 0 26 64 1 0 26 65 1 0 27 66 1 1 28 67 1 0 30 68 1 0 30 69 1 0 30 70 1 0 M END