HMDB0242179 RDKit 3D Glycohyocholate 75 78 0 0 0 0 0 0 0 0999 V2000 2.6775 -2.1763 -1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 -0.6792 -1.5863 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1737 -0.2888 -1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3075 -0.7595 -1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -0.2509 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -0.5775 -1.8868 O 0 0 0 0 0 1 0 0 0 0 0 0 6.5446 0.4477 -0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6901 0.9644 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -0.1473 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 -1.3411 0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8061 0.1228 1.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8234 -0.1251 -0.5889 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9443 1.4114 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 1.9323 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 0.6608 0.1346 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6350 0.7941 0.2113 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9687 1.4121 1.5593 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9272 1.1015 2.4647 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 0.9049 2.1604 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0581 -0.1351 3.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.5408 1.1233 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5450 0.2474 1.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4372 -0.7419 1.1864 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3663 -1.1811 2.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7389 -1.9663 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 -1.8956 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -0.5666 0.2784 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2593 -0.4245 -1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2413 -0.6029 0.2055 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7678 -1.3754 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 -1.5707 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 -0.2325 -0.9641 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1237 0.3561 -2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 -2.7094 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -2.5626 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -2.5820 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -0.2538 -2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -0.7736 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 0.8013 -0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -1.8396 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 -0.2889 -2.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 1.4996 1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 1.6847 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 0.6049 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 -0.5004 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 1.6962 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 1.8126 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 2.6148 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 2.4224 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 0.2180 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 1.4470 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 2.5388 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.1502 2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 1.7561 2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 0.2085 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 1.4619 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3613 -0.0296 2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1182 1.2184 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0805 -0.2542 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9177 -0.4240 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0742 -2.9059 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9915 -2.0968 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 -2.7605 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9664 -1.9654 1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3075 -0.1420 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6548 0.3883 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 -1.3956 -1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 -1.1168 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -0.8390 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 -2.3839 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -2.1678 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 -2.0578 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 -0.4771 -3.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 1.0169 -2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 0.9553 -2.7163 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 1 0 5 7 2 3 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 17 19 1 0 19 20 1 0 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 6 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 6 32 12 1 0 32 15 1 0 29 16 1 0 27 21 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 8 42 1 0 8 43 1 0 11 44 1 0 12 45 1 1 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 1 16 51 1 6 17 52 1 6 18 53 1 0 19 54 1 1 20 55 1 0 21 56 1 6 22 57 1 0 22 58 1 0 23 59 1 6 24 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 28 65 1 0 28 66 1 0 28 67 1 0 29 68 1 1 30 69 1 0 30 70 1 0 31 71 1 0 31 72 1 0 33 73 1 0 33 74 1 0 33 75 1 0 M CHG 1 6 -1 M END