HMDB0039700 RDKit 3D (5alpha,14alpha)-14-Methylcholestan-3-one 77 80 0 0 0 0 0 0 0 0999 V2000 6.5690 2.4465 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0224 1.0028 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2077 1.0103 -1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8914 0.1651 -0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 0.2304 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -0.6001 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -0.5486 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7663 -1.1147 1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -1.2918 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -0.6685 -1.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -1.2353 -1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 -1.5403 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -3.0727 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 -1.0051 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4656 -1.4933 -1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 -1.2457 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -0.0536 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1282 0.4928 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2769 1.8792 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1845 2.1491 -0.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2748 2.8840 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9308 2.2337 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7896 1.0080 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2246 1.4057 -1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3916 0.5040 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 0.8034 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 0.3109 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -1.0990 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -2.0022 1.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 2.6184 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 3.1314 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 2.5943 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3715 0.6214 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0568 1.4820 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0429 1.6550 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5173 -0.0215 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 -0.8473 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 0.5804 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0163 0.0166 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 1.3285 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -0.0865 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 -1.6229 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 0.5317 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8646 -1.2971 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.5365 2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3434 -2.1580 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -2.3271 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -1.0146 -2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 0.4166 -1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 -0.5510 -2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 -2.1371 -2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -3.3962 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 -3.5382 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 -3.4114 -1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 -1.3629 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4052 -1.0323 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3616 -2.5717 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 -2.1302 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6251 -1.1431 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3626 -0.3337 1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8799 -0.1836 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4344 0.5151 1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 3.2363 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2295 3.7655 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 1.9313 1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 3.0021 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 2.4661 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 0.7901 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3366 1.3666 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 0.9822 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 0.3883 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 1.9067 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 0.4304 2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 1.0606 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -2.1561 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -2.9981 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -1.5154 2.7078 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 12 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 2 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 0 28 29 1 0 28 9 1 0 28 12 1 0 25 14 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 13 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 24 67 1 0 24 68 1 0 24 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 27 73 1 0 27 74 1 0 29 75 1 0 29 76 1 0 29 77 1 0 M END