HMDB0006285 RDKit 3D 4-oxo-Retinoic acid 49 49 0 0 0 0 0 0 0 0999 V2000 -2.5414 0.4341 2.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 0.5868 1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 0.5110 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 0.2723 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 0.1489 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -0.0910 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -0.0916 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 -0.2412 -1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 -0.4790 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1663 -0.6960 -1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 -0.9214 -0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -1.0439 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4832 -1.1083 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6087 -1.3341 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6815 -1.3801 1.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8632 -1.5418 -0.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 0.7264 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 0.5499 -2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2904 2.1258 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 -0.3083 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6685 0.0761 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7636 0.7976 1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 1.5939 2.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 1.2354 2.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 -0.5732 2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 0.5243 3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8288 0.1585 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 0.2261 -1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 0.5999 1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 0.3059 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 -1.0940 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 -0.1250 -2.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -1.3124 -2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -0.3964 -2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 -1.3285 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 -0.1119 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6274 -1.9443 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6032 -1.0799 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -0.6974 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9629 -0.4894 -2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6548 1.3314 -2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 0.6041 -2.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 2.6176 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 2.1222 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0507 2.7630 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3552 -1.2788 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4288 -0.3992 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0058 -0.8894 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5630 0.6453 0.3983 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 23 2 0 22 2 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 M END