HMDB0035121 RDKit 3D Oryzanol C 105110 0 0 0 0 0 0 0 0999 V2000 -9.5355 -0.7649 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4134 -0.0340 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0969 -0.6764 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4732 -0.2023 1.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1589 -0.8075 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -2.3170 2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 -0.2388 1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -1.1713 2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 -1.5035 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -0.9003 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -1.8768 -0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5861 -0.4404 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 -1.6630 -1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 -1.8762 -1.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 -0.6837 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 -0.8917 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 -1.0629 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 -2.2164 -1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 0.1443 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 0.2527 -0.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0844 0.1410 -1.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -0.0948 -2.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 0.2768 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5217 0.5167 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7638 0.6688 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7621 0.9134 2.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 1.0663 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1321 0.9672 2.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2979 1.1202 3.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1745 0.7248 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3819 0.6325 0.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5213 0.3883 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 0.5795 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 1.5126 -1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 1.5215 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 0.6040 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 1.2509 -2.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 0.6548 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 1.6706 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 1.1189 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 0.2403 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 1.0837 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5550 1.4387 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9982 1.8333 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7304 1.9593 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5052 -0.3204 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4427 -1.8296 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4526 -0.3508 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1509 -1.7789 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2774 -0.4767 2.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4799 0.9107 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2322 -0.6425 3.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4441 -2.5337 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8166 -2.8939 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0168 -2.7555 3.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 0.6616 2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1643 -0.7623 3.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -2.1243 2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -2.6176 0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -1.2212 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 -1.8602 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2094 -2.8980 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -1.7179 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -0.0847 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 -1.6343 -2.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -2.5960 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 -2.7282 -2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 -2.2954 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 -0.5948 -2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -0.8338 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 -2.1538 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -0.4837 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -3.0810 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 -2.2538 -2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2645 -2.3734 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 -0.0870 -2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 0.1762 -1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 0.6134 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8288 0.9953 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9066 1.2584 4.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2561 1.2953 4.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5568 0.7053 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4181 -0.6822 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8379 1.0244 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0543 0.3893 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7092 2.2930 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 1.8764 -2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 1.4585 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3477 2.5744 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 2.3280 -2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 0.7124 -3.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 2.0390 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 2.6211 -0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 1.9540 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 0.6054 1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3007 1.7572 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7141 1.7496 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4729 0.5573 -1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2062 1.9784 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0171 2.9360 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6709 1.5768 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2756 1.3921 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8195 2.5031 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4541 1.1589 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3065 2.7045 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 30 33 2 0 19 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 2 43 1 0 43 44 1 0 43 45 1 0 41 7 1 0 41 10 1 0 38 12 1 0 36 15 1 0 33 25 1 0 38 36 1 0 1 46 1 0 1 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 11 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 17 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 23 77 1 0 24 78 1 0 26 79 1 0 27 80 1 0 29 81 1 0 32 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 37 90 1 0 37 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 42 96 1 0 42 97 1 0 42 98 1 0 43 99 1 0 44100 1 0 44101 1 0 44102 1 0 45103 1 0 45104 1 0 45105 1 0 M END