HMDB0000320 RDKit 3D 3a,4b,7a-Trihydroxy-5b-cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 3.3684 2.3205 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 1.0048 0.2325 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3392 0.1300 1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 -1.2127 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9535 -1.1401 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4726 -0.0540 -0.3059 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 -2.2746 -0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9044 0.3383 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 1.2900 -1.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2316 1.2419 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 0.8835 -0.9473 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7856 0.3267 -1.0499 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1913 -0.0520 0.3402 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2359 -0.8819 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -0.4417 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 -0.1423 -0.3912 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3082 -1.4158 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5247 -0.7213 0.2711 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5244 -1.9527 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -1.1753 1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 -1.6534 1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2726 -0.6162 1.3179 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1357 -0.1919 2.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5023 0.5762 0.8502 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4053 1.5626 0.4535 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5484 0.2282 -0.2894 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0105 1.4854 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 1.4373 -1.4988 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0548 2.6816 -1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 3.1969 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 2.4259 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 2.4926 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7064 1.2937 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 0.6696 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 0.1193 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 -1.7050 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -1.8770 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2801 -2.4042 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 -0.5064 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 2.3369 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 1.0451 -2.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 0.5794 -3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 2.2647 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5363 1.7880 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 -0.4860 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 0.9056 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 -0.7929 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3444 -1.9945 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 0.3652 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -1.3466 1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 -1.8818 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -2.1239 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 -1.2422 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -1.6903 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 -2.7054 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 -2.4331 -0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6275 -0.4090 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -2.0548 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 -1.7867 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 -2.6342 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 -1.0138 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7581 -0.4756 3.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 0.9873 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8767 1.3283 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -0.2732 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 2.2787 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7536 1.8743 -1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 1.3910 -2.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 2.9129 -0.3332 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 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 16 8 1 0 26 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 0 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 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 6 23 62 1 0 24 63 1 1 25 64 1 0 26 65 1 6 27 66 1 0 27 67 1 0 28 68 1 6 29 69 1 0 M END