HMDB0012874 RDKit 3D 9,13-cis-Retinoic acid 50 50 0 0 0 0 0 0 0 0999 V2000 -3.1680 -0.4619 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2013 -1.0235 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -0.7874 -1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 0.0022 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 0.3373 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 1.1371 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 1.6066 -2.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 1.4547 -0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 1.0568 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 1.4246 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 1.0307 2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 0.2048 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 1.3918 2.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 2.1799 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9808 2.4117 3.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 2.7136 1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 -1.2873 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 -2.1922 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 -0.0963 1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 -2.0728 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 -1.6516 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3355 -1.8031 -1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 0.6297 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2589 -0.9064 -3.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 -0.8902 -3.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 0.3796 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 0.0089 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 0.7352 -3.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 2.2394 -3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 2.2188 -3.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 2.0680 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 0.4684 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 2.0046 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9155 0.8089 3.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.6881 2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -0.1711 4.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 1.0402 4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 3.7336 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 -3.2500 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 -1.9141 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -2.2103 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 0.8530 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -0.2102 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -0.0471 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 -1.9710 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -3.1399 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3426 -2.3891 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8838 -0.6455 0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -2.9089 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2641 -1.4221 -1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 3 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 2 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 M END