HMDB0302781 RDKit 3D (24S)-24-Methyl-25-dehydrocholesterol 75 78 0 0 0 0 0 0 0 0999 V2000 6.5065 1.9342 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7112 1.2141 0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0103 1.2748 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6726 0.2498 0.0612 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4633 0.9313 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 0.2754 0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 -0.5687 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 -0.6104 -0.4552 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3270 -1.1931 -1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -1.2485 -0.4679 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1065 -2.6797 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4048 -2.8886 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9971 -1.5671 -0.2432 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3539 -1.2548 0.2162 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3294 -2.0605 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 -1.2805 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8301 -0.0918 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0007 0.5858 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5703 1.6019 -0.3674 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3347 0.9146 0.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 2.5398 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 2.0827 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 0.5899 0.3209 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4267 0.0657 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 0.2239 -0.0147 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5701 1.1103 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 0.7735 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.6239 0.2912 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1423 -0.8019 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 2.6101 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 1.9497 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 0.4020 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1840 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8655 1.3795 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -0.6894 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 1.3474 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.1859 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 1.7475 -1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 1.3960 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 0.1809 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 -1.6637 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6556 -0.3273 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 0.4676 -0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 -2.1388 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 -1.6189 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -0.5627 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 -1.2068 -1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 -3.3201 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 -2.9861 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 -3.6662 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 -3.1936 1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -1.4664 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 -1.5412 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 -2.9390 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.4915 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0843 -1.7581 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 1.0988 -2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8218 -0.1173 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 2.2145 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1092 0.5402 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6131 3.5465 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8783 2.7500 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 2.5103 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7271 2.4015 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 -0.1332 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0829 0.8561 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9879 -0.8780 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 0.3782 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 1.0457 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 2.1564 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 1.4617 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 0.9295 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -1.0208 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 0.1526 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 -1.6718 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 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 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 10 1 0 28 13 1 0 25 14 1 0 23 17 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 4 35 1 6 5 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 6 9 44 1 0 9 45 1 0 9 46 1 0 10 47 1 6 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 6 14 53 1 1 15 54 1 0 15 55 1 0 16 56 1 0 18 57 1 0 18 58 1 0 19 59 1 6 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 24 65 1 0 24 66 1 0 24 67 1 0 25 68 1 6 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 M END