HMDB0060196 RDKit 3D N-Retinylidene-N-retinylethanolamine 102104 0 0 0 0 0 0 0 0999 V2000 11.4522 -2.1490 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3941 -0.6601 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3485 0.0363 -1.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1711 -0.6619 -1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -0.0635 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8967 -0.7839 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 -2.2340 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8089 -0.1478 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6086 -0.7663 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 -0.0139 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -0.5175 1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 -1.9481 1.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 0.3348 1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 0.0901 2.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 0.1033 1.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -0.0244 1.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -0.0425 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7843 -0.0032 1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8223 -0.0365 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0816 0.0225 0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4725 0.1220 2.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1563 -0.0747 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3898 0.0139 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5200 -0.0748 -0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7504 0.0838 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8811 0.3440 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9888 0.0684 -1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7237 0.1021 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5785 -0.8196 -2.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2833 -0.3978 -2.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6707 0.7760 -3.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3528 -1.6107 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 -0.1723 3.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 -0.1832 4.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 -0.0540 3.6612 N 0 0 0 0 0 4 0 0 0 0 0 0 0.9482 -0.0635 4.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 1.3769 5.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0501 1.9278 5.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 1.5093 -1.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 1.7574 -2.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 2.2776 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4683 2.1213 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1249 1.1088 -3.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6240 0.0052 -2.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5308 -2.4367 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9789 -2.5920 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0044 -2.4712 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 -1.7596 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9541 0.9871 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -2.6672 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 -2.5253 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8549 -2.7899 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 0.9477 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 -1.8158 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6785 1.0630 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -2.2564 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -2.2225 1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6523 -2.5824 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 1.4090 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 0.2191 0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 -0.0929 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 0.0628 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5211 -0.1090 -0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7089 1.1517 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3894 -0.5343 2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7561 -0.3082 2.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8328 -0.1835 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6409 0.1751 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2806 1.2555 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4878 -0.5070 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9313 0.6006 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5704 -0.8414 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6669 0.9257 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6216 -0.3258 -3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5842 1.1044 -3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7876 -1.8430 -2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3974 -0.8859 -4.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2965 0.9946 -3.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6551 1.6934 -2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6632 0.5205 -3.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9758 -2.4001 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1291 -2.0569 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5012 -1.3474 -3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 -0.2807 3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5641 -0.3059 5.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 -0.7004 5.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.4412 4.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 1.4446 5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 1.9863 4.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 1.6528 6.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4088 2.5358 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5239 2.0101 -3.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5041 0.8205 -2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8644 1.6654 0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8572 2.9500 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1214 3.0243 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1937 3.0491 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2089 2.3916 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3766 0.6582 -4.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9840 1.5756 -3.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2331 -0.6763 -3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2236 0.4062 -1.6180 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 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 16 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 3 39 1 0 39 40 1 0 39 41 1 0 39 42 1 0 42 43 1 0 43 44 1 0 44 2 1 0 35 14 1 0 30 24 1 0 1 45 1 0 1 46 1 0 1 47 1 0 4 48 1 0 5 49 1 0 7 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 9 54 1 0 10 55 1 0 12 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 15 60 1 0 17 61 1 0 18 62 1 0 19 63 1 0 21 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 23 68 1 0 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 31 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 40 91 1 0 40 92 1 0 40 93 1 0 41 94 1 0 41 95 1 0 41 96 1 0 42 97 1 0 42 98 1 0 43 99 1 0 43100 1 0 44101 1 0 44102 1 0 M CHG 1 35 1 M END