HMDB0035185 RDKit 3D Retinol acetate 56 56 0 0 0 0 0 0 0 0999 V2000 8.1897 -0.5859 -3.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -1.2441 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4449 -1.9796 -1.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.1146 -1.3475 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9995 -1.7860 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 -1.5915 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -0.8560 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 -0.1737 -1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -0.7581 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 -0.6784 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 -1.1689 1.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -0.9116 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 -1.4495 3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 -0.2198 1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 0.0266 1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 0.7052 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7866 0.9041 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1019 0.4520 2.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8657 1.5687 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2911 2.4468 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 1.5191 -1.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 1.0692 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7475 -0.1663 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 2.1483 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9275 -1.2995 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 0.3359 -2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4036 -0.4373 -3.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 -1.5485 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 -2.8781 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2715 -2.0889 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -0.8412 -2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 0.6014 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 0.4760 -2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8499 -0.6556 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 0.1294 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 -1.7831 2.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 -1.9672 4.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 -0.6138 4.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -2.2265 3.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 0.1061 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9139 -0.3107 2.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 -0.6308 2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 0.9732 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3234 0.8212 3.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4963 0.7904 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5209 2.1563 1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6202 3.2124 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 2.8486 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 2.0493 -2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1019 0.6489 -1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -0.0339 -1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 -0.3664 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 -1.0264 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 1.9424 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7277 3.1068 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 2.3536 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 M END