HMDB0000312 RDKit 3D 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 4.7862 0.8023 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 -0.0525 0.4188 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1271 -0.7662 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 -1.7204 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -1.2664 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 -0.1397 -0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4938 -2.1675 0.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 0.7534 0.3728 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5601 2.0335 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 2.4129 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 1.3776 0.1546 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0753 1.1752 -0.1970 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6132 -0.1679 0.2026 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6961 -1.3115 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.9611 0.6373 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4470 -2.0506 0.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 0.1515 -0.1324 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1666 -0.0250 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -0.3109 -0.4968 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8680 0.0103 -1.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -1.7104 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 -1.6763 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4091 -1.0980 0.9774 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1590 -2.1187 1.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5495 0.0814 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 0.6761 0.1214 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3671 2.0402 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 2.1721 0.6143 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7236 1.9197 1.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 0.2472 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 1.4620 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 1.5103 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 -0.8472 1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3112 -1.3703 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -0.0336 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -2.4868 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -2.4369 0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 -1.8067 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 1.0854 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 1.9491 -1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 2.8511 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 2.4303 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 3.4147 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 1.6464 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 1.4396 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 -0.1406 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -1.7064 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 -2.1648 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -0.5632 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -2.9045 0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.4183 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 0.5071 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -1.0615 -1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 -0.3131 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 1.0888 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 -0.5513 -2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -2.3496 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1862 -2.1807 0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3048 -2.7390 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3766 -1.0942 -1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4807 -0.8978 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2745 -3.0128 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2583 0.8682 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8335 -0.1331 2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 0.7594 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 2.7111 -0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 2.5004 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5816 3.1921 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 2.5322 2.3766 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 27 28 1 0 28 29 1 0 17 8 1 0 26 19 1 0 17 11 1 0 28 12 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 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 1 16 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 20 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 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 6 27 66 1 0 27 67 1 0 28 68 1 1 29 69 1 0 M END