HMDB0000364 RDKit 3D 3a,6a,7b-Trihydroxy-5b-cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 4.2451 -1.3194 -1.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -0.2907 -0.5975 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2186 -0.7827 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 -1.1169 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5873 0.0229 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9878 0.4053 -0.3609 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 0.7652 1.8608 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 0.4059 -0.6395 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 1.1570 -1.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 1.2421 -2.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 0.9025 -0.9435 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0027 0.6472 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4537 -0.0917 0.3290 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5424 -1.2115 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -0.5903 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -0.2699 -0.5136 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0959 -1.3709 -1.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -0.4531 0.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0892 -1.0868 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -1.4399 1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9272 -1.3496 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2466 -0.0863 1.9915 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2139 -0.4700 3.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1793 0.9131 1.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 0.8256 0.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9110 2.0594 -0.0300 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5234 2.6925 1.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7495 1.9545 -0.9361 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1590 2.2550 -2.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 -1.4595 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -2.3316 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 -1.0336 -2.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6995 0.5268 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6858 -1.7423 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9608 -0.0410 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9394 -1.9305 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 -1.4879 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6259 1.6356 2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 1.2299 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 2.2008 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 0.6995 -2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 0.5394 -3.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 2.2521 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 1.7491 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 0.0894 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 0.6354 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 -1.9793 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 -1.6517 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6575 0.3859 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -1.1646 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -2.3752 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -1.1269 -2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 -1.3963 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3112 -0.3144 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0184 -1.7299 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2727 -1.7612 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 -1.2825 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -2.4547 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -2.1986 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3797 -1.2047 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2255 0.3369 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8135 -1.2585 3.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 0.7558 2.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5225 1.9500 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6205 0.7661 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6306 2.8034 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6497 3.0990 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 2.7949 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 3.1565 -2.5306 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 26 27 1 0 26 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 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 6 23 62 1 0 24 63 1 0 24 64 1 0 25 65 1 6 26 66 1 6 27 67 1 0 28 68 1 1 29 69 1 0 M END