HMDB0002431 RDKit 3D 12b-Hydroxy-5b-cholanoic acid 67 70 0 0 0 0 0 0 0 0999 V2000 3.8153 -0.4077 1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6286 -0.2474 0.2271 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6949 0.7645 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.2678 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0552 1.2630 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 2.3235 -0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4401 1.0709 -0.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 0.2447 -0.2645 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4255 0.3071 -1.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 -0.3721 -2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 -0.0196 -1.1730 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0843 -0.5835 -1.0754 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8710 -0.5901 -2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 0.1568 -2.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 -0.1631 -1.0557 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1503 0.7865 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 0.6566 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2606 0.6595 1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 1.0428 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -0.0812 0.2262 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2787 -1.3352 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 0.3461 -0.0518 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9382 0.5339 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -0.1238 1.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2749 -1.2873 2.0504 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 -0.4927 0.0224 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4044 -1.9796 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 -1.0801 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 0.5667 2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 -0.8004 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 -1.1989 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 1.6779 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 1.0834 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 0.0842 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2152 -0.6917 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0198 1.1109 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 1.2957 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3847 1.3655 -2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 -0.2305 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 -1.4344 -2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 0.1849 -3.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 1.1072 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -1.5795 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 -0.1211 -3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 -1.6429 -2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 -0.1194 -3.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 1.2360 -2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3778 -1.1902 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8344 1.8318 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7482 0.4919 -1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6973 1.5760 0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7526 -0.1936 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6096 1.4517 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2887 -0.3245 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 1.2189 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7827 1.9773 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2748 -1.7907 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 -1.1127 2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 -2.0604 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8651 1.3164 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 1.6464 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 0.1937 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0463 0.5531 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -2.0059 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -2.1432 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 -2.4106 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -2.5794 -0.4701 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 6 26 8 1 0 26 11 1 0 22 12 1 0 20 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 6 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 7 36 1 0 8 37 1 1 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 1 12 43 1 1 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 6 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 21 57 1 0 21 58 1 0 21 59 1 0 22 60 1 6 23 61 1 0 23 62 1 0 24 63 1 1 25 64 1 0 27 65 1 0 27 66 1 0 27 67 1 0 M END