HMDB0029583 RDKit 3D Lycopersiconol 58 61 0 0 0 0 0 0 0 0999 V2000 4.7862 1.4680 1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 0.2508 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -0.5937 0.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 0.1291 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 -1.1706 -1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 -2.1404 -0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 -1.6118 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 -0.4494 -1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 -0.6896 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -1.2574 -1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1214 -1.6990 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8411 -0.5768 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4557 -1.1418 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 -0.1473 1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3792 -0.0704 0.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 1.1401 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 1.1845 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 0.6564 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 1.7480 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6271 0.6537 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.1189 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 1.3581 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 0.0495 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2717 -0.9559 1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 2.3223 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 1.6590 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 1.3692 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 0.9533 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -1.0291 -2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -2.7552 -1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 -1.8436 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -2.5332 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 0.3521 -1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -1.3210 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1544 -0.4907 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3856 -2.1450 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7434 -2.3894 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -2.3109 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -0.3887 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9602 -2.0865 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7104 -1.2488 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1488 -0.5875 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6392 0.8655 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 1.2891 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4409 1.9975 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 0.7012 2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 2.2802 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0065 2.6470 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 1.3400 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6592 2.0415 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 1.3424 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 0.3040 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 2.0901 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 1.8818 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 2.0238 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -1.2751 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 -0.4322 2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -1.8760 0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 4 1 0 23 8 1 0 20 9 1 0 18 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 24 56 1 0 24 57 1 0 24 58 1 0 M END