HMDB0245853 RDKit 3D 3,4-Didehydroretinol Acetate 54 54 0 0 0 0 0 0 0 0999 V2000 8.2100 0.5724 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8705 1.1574 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 0.6540 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7157 2.2639 -1.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 2.8178 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 1.8720 -2.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 1.4479 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8934 1.9525 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6455 0.4838 -2.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.1014 -2.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -0.0168 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 -0.6784 -1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0225 -1.6108 -2.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.5024 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 -1.1582 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 -1.0914 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7298 -1.8392 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9207 -2.7249 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7853 -1.8406 1.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6209 -1.0768 2.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4808 -0.2091 3.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 -0.2057 2.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 1.2169 1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0818 -0.5699 2.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 1.1746 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 0.4459 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -0.4402 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6951 3.5849 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 3.3855 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 1.4530 -3.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 1.0661 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 2.5824 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 2.5441 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 0.2139 -3.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -0.8018 -3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 0.6393 -0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.5997 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -1.2284 -2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 -1.8273 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 0.1879 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 -1.8317 -0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 -3.4747 -0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9152 -2.0662 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8607 -3.2675 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6727 -2.4593 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4138 -1.0830 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0685 -0.5127 4.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9018 0.8207 3.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1325 1.8418 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 1.6686 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3057 1.2147 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 0.3158 2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 -1.4134 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3204 -0.9465 3.8010 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 3 7 8 1 0 7 9 1 0 9 10 2 3 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 14 15 2 3 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 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 20 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 24 54 1 0 M END