HMDB0301730 RDKit 3D 24-Methylcholesterol ferulate 98102 0 0 0 0 0 0 0 0999 V2000 11.6828 -0.0705 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3831 -0.3582 -1.7664 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7457 -0.4625 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3954 -0.2790 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7069 -0.3684 0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -0.1614 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -0.2308 1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -0.0072 1.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 -0.0788 2.7723 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 0.2801 0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 0.4718 0.5364 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6113 1.7693 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 1.9198 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 0.7981 -0.4927 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4485 1.0337 -1.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -0.5009 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3597 -1.5624 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1299 -1.5563 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 -0.5768 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 0.7340 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 1.8457 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 1.6526 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 0.4649 -0.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8343 1.1209 -1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -0.5514 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8085 -1.8380 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -1.6027 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 -0.1556 0.9487 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2762 -0.0200 0.8992 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8129 -0.7358 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9412 -0.8044 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4079 -0.7035 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0773 0.5585 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8802 1.7078 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6109 0.3309 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1085 -0.1774 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9674 -0.6557 -1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 -0.6299 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4227 -0.6524 1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7967 -0.8423 1.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4499 -0.7456 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8303 -0.9271 0.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1471 -1.0085 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4294 0.1903 -3.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9908 0.7776 -2.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8235 -0.0521 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7299 0.0652 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9785 -0.4498 2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 0.3699 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 2.6202 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 1.7567 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 2.8675 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 2.0230 1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 1.3732 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 1.7563 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 0.0842 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9343 -2.4813 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -2.5905 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 -1.1677 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -0.9102 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0133 0.7885 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 1.7203 -1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 2.8350 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 2.5475 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8135 1.3355 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 2.0680 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 0.5540 -2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 1.4933 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 -0.4479 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 -2.7357 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6747 -2.0415 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 -1.7648 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 -2.3051 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 0.2335 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5449 1.0172 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6722 -0.2069 2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -0.6573 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9728 -1.8021 1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7457 -1.9041 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5397 -0.6454 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7174 -1.4570 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9312 -1.1338 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8103 0.8618 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8215 1.4123 1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0643 2.4041 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8099 2.3795 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0505 1.3344 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1224 0.2103 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4772 0.1872 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1020 -1.2874 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0101 -0.4029 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3194 -0.6219 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0610 -1.6813 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -0.4215 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 -1.5785 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9544 -0.7387 2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3889 -1.0685 2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3636 -1.1376 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 2 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 1 6 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 16 38 1 0 5 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 3 1 0 38 11 1 0 20 14 1 0 28 23 1 0 25 19 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 6 47 1 0 7 48 1 0 11 49 1 1 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 15 54 1 0 15 55 1 0 15 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 24 66 1 0 24 67 1 0 24 68 1 0 25 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 1 29 75 1 1 30 76 1 0 30 77 1 0 30 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 40 97 1 0 42 98 1 0 M END