HMDB0000414 RDKit 3D 1b,3a,7a-Trihydroxy-5b-cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 5.0896 -1.8693 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -1.1392 -0.4254 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4546 0.0923 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 1.1527 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 2.3135 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4486 2.3049 -2.1332 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0718 3.3791 -0.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -1.1682 0.4250 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8962 -0.4940 1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 0.4968 1.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -0.3825 1.1468 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5767 0.2450 0.7410 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4532 -0.7889 0.0721 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7810 -1.7151 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 -2.0869 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4273 -0.8476 -0.1145 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3098 0.1371 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7248 -0.1998 -0.4828 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7083 -0.1350 -2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 1.2255 -0.0399 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2036 1.8252 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3702 0.9745 -0.0672 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2053 1.6495 0.8482 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0519 -0.3656 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 -1.0665 -0.1374 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3838 -1.7922 -1.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 1.5021 1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 0.7059 1.9564 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9668 -0.4017 2.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 -1.2884 1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8943 -2.1508 -0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 -2.8056 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -1.8913 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -0.1683 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 0.6273 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 1.6116 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 0.8260 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 3.5086 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -2.2972 0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 -0.0711 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 -1.2181 2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4797 0.7034 2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 1.3837 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 -1.2910 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 1.1584 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -1.4352 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.4377 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3569 -2.6931 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 -2.8258 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 -2.5182 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.2316 -2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 1.1523 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 0.2368 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 0.5558 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 0.3322 -2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -1.1291 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 1.8166 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2461 2.1230 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2546 2.8071 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0228 0.8202 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8215 2.2668 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 -1.0121 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9535 -0.3520 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -1.8570 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3339 -2.0326 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 2.5849 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 1.4332 2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8045 1.2482 2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -0.0414 3.2084 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 6 13 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 20 27 1 0 27 28 1 0 28 29 1 0 16 8 1 0 25 18 1 0 16 11 1 0 28 12 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 6 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 8 39 1 1 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 1 12 45 1 6 13 46 1 1 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 17 51 1 0 17 52 1 0 17 53 1 0 19 54 1 0 19 55 1 0 19 56 1 0 20 57 1 6 21 58 1 0 21 59 1 0 22 60 1 6 23 61 1 0 24 62 1 0 24 63 1 0 25 64 1 1 26 65 1 0 27 66 1 0 27 67 1 0 28 68 1 1 29 69 1 0 M END