HMDB0247587 RDKit 3D 9-cis Retinol Acetate 56 56 0 0 0 0 0 0 0 0999 V2000 9.4138 0.7162 1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 1.3458 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 2.1577 0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 1.1785 2.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 1.9090 1.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 1.8656 2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 1.3969 2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.4175 3.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 1.1296 1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 0.6287 1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.3736 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 -0.1019 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 -0.3792 1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 -0.1682 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -0.4753 -1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 -0.8166 -1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 -0.7562 -3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -0.3340 -3.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 -1.0587 -3.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 -0.9074 -2.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6767 -0.5243 -1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4601 -1.2675 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 -2.7554 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 -0.8529 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5505 -0.1579 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1878 1.5154 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 0.3060 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 3.0021 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 1.6543 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 2.3553 3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 1.8858 4.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 2.1355 3.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 0.3981 4.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 1.3919 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 0.3237 2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 0.5702 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 0.5493 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -1.2339 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -0.6854 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1463 0.1291 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2926 -0.7058 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 0.7923 -3.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -0.7825 -3.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 -0.6796 -4.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9863 -0.3718 -4.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8567 -2.0913 -4.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7796 -0.1911 -3.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5901 -1.8670 -2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4637 0.5824 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5125 -0.7140 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1609 -3.1877 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 -3.2700 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -3.0157 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2988 -0.8784 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -1.6234 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 0.1427 0.6689 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 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