HMDB0012452 RDKit 3D all-trans-18-Hydroxyretinoic acid 51 51 0 0 0 0 0 0 0 0999 V2000 0.9995 -1.1967 -1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 -0.4193 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 0.1457 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 -0.0602 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 0.4351 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7657 0.0890 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -0.7208 -2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 -1.8986 -2.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 0.5087 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1339 1.9974 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 2.3500 0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 1.2626 0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 1.9770 1.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9929 0.3443 1.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -0.1820 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3077 -0.6616 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 -0.4075 0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 -0.8551 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 -1.6556 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6205 -0.5279 1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0162 -0.9159 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8406 -0.5523 2.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5409 -1.6621 0.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 -0.5703 -2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -2.0076 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 -1.6908 -1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 0.6727 1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 -0.6584 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -0.9937 -2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9929 -0.2351 -3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 -2.5153 -2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6772 -0.0252 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 0.3682 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1591 2.4142 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7508 2.4803 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 2.6248 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 3.2421 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 2.5482 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 1.4168 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 2.8433 2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 0.2727 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 0.7111 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 -0.6987 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 0.3998 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 -1.2351 -0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0903 0.2002 1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -2.6352 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 -1.9127 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8414 -1.1347 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3326 0.0638 2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3362 -1.3397 -0.1208 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 2 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 2 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 12 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 23 51 1 0 M END