HMDB0059643 RDKit 3D 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde 79 82 0 0 0 0 0 0 0 0999 V2000 8.4546 -0.0336 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4528 0.8648 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1918 2.0659 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 0.1148 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5426 -0.3998 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 -1.1750 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0865 -0.4750 -0.0986 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3169 -0.2211 -1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -1.1917 0.1008 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5898 -1.5168 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1422 -1.9584 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 -1.5878 0.2694 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7709 -1.1333 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5605 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 -1.1885 1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4662 -0.4849 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8705 -0.0294 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3271 0.7466 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7115 -1.2899 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5373 -1.5536 0.8554 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 0.7182 -1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6296 2.0318 -0.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0606 0.8428 -2.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 1.5092 -1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4281 0.5533 -0.3089 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0585 1.4149 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 -0.2334 -0.8229 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2108 0.6201 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1801 0.0052 -1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -0.4161 -0.0881 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3995 0.6574 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4756 0.0907 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4766 0.2945 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 -1.0977 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8556 1.2415 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 2.3177 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 1.8923 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7574 2.9623 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 0.8851 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4241 -0.6608 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3335 0.5394 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3441 -0.8907 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4997 -2.1187 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.6035 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 0.5560 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1849 -0.8002 -1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 -0.7246 -2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 0.8246 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 -2.1497 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 -2.3263 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -0.6059 2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -1.5817 2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -3.0841 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 -2.3820 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -2.2395 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -0.6137 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 -2.1290 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4008 -1.2763 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8119 0.5722 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4149 0.5156 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 1.8592 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5125 -1.9500 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0624 0.2841 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3517 2.6684 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7495 -0.1489 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3664 1.5091 -2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 2.4268 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 1.8158 -2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 2.2977 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 1.8390 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 0.9020 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -0.8815 -1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 0.7067 -2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 1.6736 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 0.8145 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 -0.8558 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 0.3244 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 1.5320 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 1.0794 1.2139 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 2 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 1 30 9 1 0 30 12 1 0 27 13 1 0 25 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 1 8 46 1 0 8 47 1 0 8 48 1 0 9 49 1 6 10 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 6 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 21 63 1 0 22 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 6 28 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 31 77 1 0 31 78 1 0 31 79 1 0 M END