HMDB0035295 RDKit 3D (3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid 81 84 0 0 0 0 0 0 0 0999 V2000 7.9157 -0.6661 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 0.7141 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6803 1.3839 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 0.7081 0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 0.6939 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.0141 -1.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 0.1167 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 -1.2546 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 0.2577 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -0.4824 -1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -0.8002 -1.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 -2.0061 -2.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -0.8802 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 -2.3480 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.4715 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 -0.9108 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7159 -0.5603 -1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2452 0.4379 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 0.3800 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8696 -0.9248 1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 1.5698 1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5948 1.4815 1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3841 1.1962 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5242 0.4556 0.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7295 0.4239 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3135 -0.9910 -0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1585 1.0887 -2.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4191 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 1.2755 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 1.2999 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 -0.0429 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -0.7607 1.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8232 1.3500 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7127 2.5176 -1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9746 0.6341 -1.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -0.7362 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 -1.0699 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 -1.3380 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4866 2.3958 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -0.2921 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4651 1.3580 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 1.7354 -0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 0.5920 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 0.8177 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 -1.6325 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 -2.0451 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -1.1991 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 1.3554 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 0.1212 -2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 -1.3973 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1234 0.0256 -2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 -1.9288 -3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -2.8591 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -2.7990 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -2.5878 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 -1.5803 -2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -0.1382 -2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -1.5313 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 1.4517 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8317 -0.9850 1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 -0.9836 2.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6179 -1.7408 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6845 1.6302 2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7888 2.4770 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 2.4609 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 0.7346 2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8248 2.1724 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1871 -0.1700 1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2959 -1.3233 -1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3904 -0.8967 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 -1.7115 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2612 1.1371 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6863 2.0867 -2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 0.4198 -2.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 1.9722 1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2976 2.0395 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 1.6914 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.5137 2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.3911 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 -1.8403 1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 -0.3029 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 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 25 27 1 0 19 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 2 33 1 0 33 34 2 0 33 35 1 0 31 9 1 0 31 13 1 0 28 15 1 0 25 18 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 12 52 1 0 14 53 1 0 14 54 1 0 14 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 20 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 23 67 1 0 24 68 1 0 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 27 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 35 81 1 0 M END