HMDB0062383 RDKit 3D 4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol 78 81 0 0 0 0 0 0 0 0999 V2000 7.4145 2.1775 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7161 0.9151 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 0.4792 -2.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1464 0.1864 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 -1.0754 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -1.1069 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -0.8257 1.2328 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7903 0.5344 1.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -1.3116 1.4775 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7045 -1.0198 2.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -0.4488 2.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 -0.9780 1.5711 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3393 -0.2808 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 -0.6949 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 -1.6922 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 -1.4793 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 -0.7309 0.6496 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0308 0.7162 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 -0.2035 -0.9926 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4018 0.7668 -2.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5716 -1.4033 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 -1.0867 -2.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8119 -0.5052 -0.9329 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0940 -0.2804 -1.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1368 0.7627 -0.4353 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1840 1.8495 -1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8899 1.2627 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 2.3979 0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0222 0.4816 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 0.3856 0.0430 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0878 1.4831 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 0.7995 1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 2.8191 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8115 2.6987 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4243 1.9923 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 0.3072 -2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 -0.4250 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9794 1.2822 -3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2843 0.5929 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -1.8562 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 -1.3122 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5559 -0.3481 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 -2.0740 -0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 -1.5250 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 1.0226 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5989 0.6097 2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 1.1877 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -2.4134 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 -0.4223 3.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6068 -1.9918 3.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 0.6260 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -0.9165 3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -2.0678 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -1.6604 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -2.7273 -0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 -2.4738 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 -0.9029 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 1.3852 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 1.1460 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 0.9176 -0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2931 0.6706 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 0.4374 -3.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 1.8192 -1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 -2.1687 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9867 -1.7211 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4448 -2.0758 -2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0064 -0.4900 -2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8138 -1.2119 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -0.8824 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2643 2.1801 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8988 1.5727 -2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6555 2.7340 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 -0.0042 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9398 -0.4420 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7138 2.2944 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8851 1.9053 1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 1.5500 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 0.2872 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 6 14 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 1 27 28 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 17 9 1 0 30 19 1 0 17 12 1 0 32 13 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 1 8 45 1 0 8 46 1 0 8 47 1 0 9 48 1 1 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 1 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 18 58 1 0 18 59 1 0 18 60 1 0 20 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 22 66 1 0 22 67 1 0 23 68 1 1 24 69 1 0 26 70 1 0 26 71 1 0 26 72 1 0 29 73 1 0 30 74 1 1 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 M END