HMDB0012794 RDKit 3D 4-Oxoretinal 48 48 0 0 0 0 0 0 0 0999 V2000 -2.6204 1.4530 -2.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4694 0.7381 -1.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 0.1478 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 0.2534 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 -0.2064 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -0.0078 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.7586 1.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 0.1578 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 0.3638 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -0.1024 0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 0.1014 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 0.8047 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -0.3478 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9354 -0.2311 1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 -0.7132 2.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -0.6506 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -0.0460 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 -2.1112 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0099 -0.7025 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 -1.7046 0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6491 0.4855 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9087 0.7906 -2.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 0.7763 -3.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 1.8604 -3.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 2.2811 -2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 0.7752 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -0.6919 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 -0.9379 2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -1.5542 1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 0.1144 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 0.8103 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 0.8732 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 -0.6156 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3394 1.0006 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1914 0.1809 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 1.7474 -0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 -0.8630 2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5345 0.2322 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 0.8342 1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.8131 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 0.1826 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -2.6053 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 -2.2888 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 -2.5758 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6324 1.3733 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7154 0.3175 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2177 1.7995 -2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2362 0.0728 -2.8028 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 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 2 0 19 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 14 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 M END