HMDB0252868 RDKit 3D glycodeoxycholic acid 75 78 0 0 0 0 0 0 0 0999 V2000 3.1093 1.5737 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 0.7665 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 0.0908 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -0.8164 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -1.0600 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 -1.7102 -0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 -0.4183 0.9075 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1764 -0.5670 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2592 0.1490 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3216 0.6954 -1.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1231 0.2457 -1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 0.0471 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 -0.9619 1.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -1.2398 2.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 -1.3017 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9149 -0.9372 0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 0.1069 1.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 0.8383 1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 -0.1493 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8636 0.2602 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 1.3093 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4631 2.5499 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 1.5116 -1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 0.2345 -2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 -0.5650 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3607 -1.9979 -1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 -0.6676 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 0.4539 -1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 0.6460 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 1.8281 -0.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -0.5259 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 -1.4271 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.9483 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 2.4482 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 1.9069 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.5482 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 0.9011 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -0.4286 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -0.7091 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -1.8622 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 0.1542 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 -1.5653 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8185 0.0646 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6772 1.2157 -1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 0.8658 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0547 -0.5905 2.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -1.9649 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 -2.2225 2.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 -0.3988 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 -2.3908 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -1.8726 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 0.8687 1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 -0.3896 2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 1.7535 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1792 1.1270 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -1.0655 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5149 -0.6477 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 0.6785 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0671 0.9966 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9734 2.3745 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5205 1.8685 -2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 2.3424 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 0.5339 -2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0482 -0.3279 -2.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3091 -1.9749 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -2.5846 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 -2.5063 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 -1.6016 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 0.2298 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 1.4350 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 0.8585 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 2.2443 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -2.0351 -0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -0.8646 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -2.1587 -1.5710 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 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 2 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 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 12 1 0 31 15 1 0 27 16 1 0 25 19 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 30 72 1 0 32 73 1 0 32 74 1 0 32 75 1 0 M END