HMDB0000348 RDKit 3D 3b,12a-Dihydroxy-5a-cholanoic acid 68 71 0 0 0 0 0 0 0 0999 V2000 3.7073 -1.1995 1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 -0.9145 0.1846 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1094 -0.4000 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4605 0.8699 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8048 1.3149 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4624 0.6636 -0.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3345 2.4577 0.7203 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 -0.0679 -0.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6743 0.2568 -1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 0.5867 -2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4884 0.4718 -0.8841 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9633 0.2312 -1.0365 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5826 1.4747 -1.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 1.5627 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 1.1649 -0.0852 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9835 1.3666 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7794 0.2286 0.6131 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4590 -0.4219 -0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0736 -0.7442 1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -0.6153 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 -0.1975 0.2385 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2584 -1.2393 -0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0157 0.3588 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8197 -1.1155 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 -0.7186 1.2179 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6476 0.5588 1.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -0.6580 -0.1596 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1518 -1.9444 -0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 -1.2099 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 -0.3875 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3057 -2.2232 1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 -1.9165 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 -0.2924 -1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 -1.1778 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 0.6816 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 1.6567 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 3.0259 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 0.9091 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -0.5610 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 1.1698 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 1.6360 -2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 -0.0568 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 1.3753 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -0.6018 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 1.5317 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1108 2.3503 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3314 2.6573 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 1.0681 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 1.8807 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1896 2.2968 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4181 1.6452 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6321 0.6539 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1206 -0.0481 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4703 -0.7666 2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 -1.7845 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 0.0402 2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -1.6261 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 -1.8820 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 -0.8944 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 -1.9583 -0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 0.9269 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -1.1589 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -2.1083 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 -1.4305 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 0.5571 2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -1.9896 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -2.8346 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 -2.1102 -1.5384 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 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 6 27 8 1 0 27 11 1 0 23 12 1 0 21 15 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 6 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 7 37 1 0 8 38 1 1 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 1 12 44 1 6 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 1 16 50 1 0 16 51 1 0 17 52 1 1 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 22 58 1 0 22 59 1 0 22 60 1 0 23 61 1 1 24 62 1 0 24 63 1 0 25 64 1 1 26 65 1 0 28 66 1 0 28 67 1 0 28 68 1 0 M END