HMDB0243500 RDKit 3D (5alpha,17beta)-3-Oxoandrostan-17-yl undecanoate 83 86 0 0 0 0 0 0 0 0999 V2000 10.5470 0.5425 -2.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7967 0.0654 -0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4718 -0.3897 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5159 0.7639 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 0.3204 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 1.5088 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 1.5139 0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 0.6803 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -0.8043 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 -1.5524 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 -1.2749 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 -0.6521 1.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -1.6836 0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -1.3876 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 -2.6205 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 -1.9997 2.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 -0.7449 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 -0.7981 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -0.6830 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 -0.6658 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 -0.4236 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 -0.0375 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3445 1.3964 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5139 1.6925 -0.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3302 2.4671 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0304 1.9631 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6486 0.5944 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 0.7140 -2.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2698 0.2373 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3947 -0.2885 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 -0.9899 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.5586 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3289 0.8731 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 1.6185 -2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 -0.0332 -2.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4971 0.4312 -2.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -0.8112 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 0.8588 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6376 -0.7686 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0943 -1.2015 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3721 1.1080 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9343 1.6002 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -0.5636 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3403 -0.0005 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 1.9195 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 2.3250 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 1.3689 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5797 2.6171 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 0.9922 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 0.9563 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 -1.1155 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 -1.1780 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 -2.6327 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -1.2695 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 -0.8269 1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -3.0469 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -3.3539 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 -1.6964 3.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 -2.7211 2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 0.1701 2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 -1.8245 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3457 -1.6288 2.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2217 0.1424 2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3722 0.1161 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2927 -1.6262 1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4154 -1.4010 -0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8152 -0.6725 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 -0.2373 -1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 2.9427 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6672 3.2892 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1595 2.6287 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0683 1.9612 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 -0.2897 -2.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9242 1.3895 -2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6894 1.1614 -2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 1.1412 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -1.0622 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 0.4884 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 -2.1035 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -0.6796 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 1.3303 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 0.9103 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 1.4995 1.2443 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 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 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 14 1 0 32 17 1 0 29 18 1 0 27 21 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 10 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 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 25 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 28 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 31 79 1 0 31 80 1 0 33 81 1 0 33 82 1 0 33 83 1 0 M END