HMDB0304159 RDKit 3D 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate 79 82 0 0 0 0 0 0 0 0999 V2000 6.3494 0.6130 1.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2338 0.3752 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5241 1.1975 0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 0.7491 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.1154 -1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 0.3202 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 -0.3353 -1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -1.7796 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8845 0.0348 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -0.4406 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -0.6674 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1457 -1.0779 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -1.0239 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -2.0488 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 -1.8568 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4024 -0.5829 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4248 0.5226 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 0.7923 1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0232 1.8543 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3882 1.9344 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2245 0.9883 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5744 1.1553 0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7881 -0.4033 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7789 -0.8249 1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1614 -1.2665 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4215 -0.7915 -1.9954 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2462 -2.6449 -0.7351 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3453 0.1966 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3493 1.2989 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 0.9298 -1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 -0.3179 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 -1.2347 -2.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 1.0154 2.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6259 1.4336 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 -0.3096 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 -0.7188 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1801 2.2131 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 1.2169 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 0.7089 1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 1.8906 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5825 0.5653 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 -0.9882 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 0.4396 -2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 -0.1783 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 1.3845 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 0.1053 -2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -2.4704 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 -2.0870 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 -2.0123 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 1.1776 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 -1.3471 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 0.3362 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 -1.4485 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.2550 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 -2.1738 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 -2.9835 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 -2.7531 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1193 -1.7781 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4549 -0.8165 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2153 -0.0984 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 1.7339 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 0.9401 2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1513 1.9555 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 2.7125 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 2.9668 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 1.4861 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 1.1970 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0959 1.0803 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3192 -1.5975 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7204 -1.1822 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 0.0493 2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 0.0278 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 1.7512 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 2.1521 -1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 1.8114 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 0.8780 -2.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 -2.2939 -1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -0.9189 -2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 -1.1088 -2.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 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 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 25 27 1 0 17 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 9 1 0 31 12 1 0 28 13 1 0 23 16 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 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 18 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 22 68 1 0 24 69 1 0 24 70 1 0 24 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 32 77 1 0 32 78 1 0 32 79 1 0 M CHG 1 27 -1 M END