HMDB0035776 RDKit 3D Prolycopene 96 95 0 0 0 0 0 0 0 0999 V2000 -15.1783 0.6430 1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5734 -0.5320 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9622 -1.0897 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8897 -1.1197 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5927 -0.8973 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7402 0.1134 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4357 0.2942 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4390 0.7246 -2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2511 0.0696 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0299 0.2483 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8499 0.0585 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5129 -0.3529 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4517 -0.6629 2.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1985 -0.4760 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1762 -0.2202 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 -0.3771 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 -0.1420 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 0.2973 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 -0.3362 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 -0.1332 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 -0.3152 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0326 -0.0960 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2474 -0.2842 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 -0.7069 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 -0.0476 -1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6492 -0.1882 -1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6866 0.0633 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.0584 -1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 0.2601 -2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3478 -0.4625 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5416 -0.6429 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 -0.4660 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9382 -0.7011 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -1.1277 1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2028 -0.5333 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1301 0.5045 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5418 0.2020 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2521 1.0435 2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6682 0.7347 3.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 2.2920 1.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2260 1.5326 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9966 0.8709 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2115 0.6274 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1809 -1.9740 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9525 -1.2814 2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7395 -0.3311 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4603 -2.0255 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6656 -0.7437 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0060 -1.8842 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1683 1.1133 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5120 -0.2435 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4685 1.0329 -2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8217 1.6408 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0362 -0.0337 -2.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 -0.2324 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1256 0.5783 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0393 0.2633 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9663 0.2252 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7829 -0.9334 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0127 -1.5749 1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9214 -0.7923 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3212 0.0902 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7376 -0.6932 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 -0.5383 -2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 1.1405 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8592 0.7202 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 -0.6593 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 0.1771 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -0.6296 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.2216 -2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 0.0231 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 -0.8559 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 -1.6691 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 0.2710 -2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 -0.4946 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4046 0.3722 -3.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 0.5698 -3.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5189 1.1355 -2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4293 -0.6604 -3.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5521 -0.6634 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6214 -0.9659 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -0.1651 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 -0.2935 1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2368 -2.0530 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8778 -1.4680 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0026 -0.2363 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7577 -1.5068 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7025 1.5346 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0579 0.4557 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0871 -0.7223 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5957 -0.3620 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7033 1.0925 3.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9256 1.2214 4.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5378 2.0047 1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 2.9342 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3288 2.8550 2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 3 38 39 1 0 38 40 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 8 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 13 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 18 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 21 69 1 0 22 70 1 0 24 71 1 0 24 72 1 0 24 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 29 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 32 82 1 0 34 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 39 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 M END