HMDB0056269 RDKit 3D DG(24:1n9/0:0/18:3n6) 130129 0 0 0 0 0 0 0 0999 V2000 3.2926 8.7279 5.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 7.4547 4.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 7.9192 3.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 6.9481 2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 6.0570 1.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 5.0871 2.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 3.7682 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 3.0849 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 2.1592 1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 2.2837 1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 3.3237 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 2.6633 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 2.8142 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 3.6952 -2.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 2.9244 -3.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 2.2471 -4.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 3.0839 -5.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 3.9718 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 5.2116 -5.5669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 3.5559 -4.7915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 4.5108 -4.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 3.9609 -4.0099 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0618 3.4808 -2.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9804 2.8621 -4.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 1.6996 -4.9262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 0.5610 -5.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 0.6466 -5.8955 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -0.6803 -5.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -1.3811 -4.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -0.5234 -3.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 -0.9779 -2.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 -2.1411 -2.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 -3.5057 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1539 -4.2000 -2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -3.6786 -2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -4.5702 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7147 -4.2115 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9328 -2.8228 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 -2.6129 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8439 -3.5154 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -3.1080 2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2244 -3.8802 2.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0332 -5.3006 2.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3338 -6.0781 3.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5036 -5.7049 4.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 -5.8542 5.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 -5.2086 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -5.5782 4.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -4.9620 3.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -5.3043 4.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 8.6728 6.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 8.8193 6.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 9.6255 4.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 6.8366 4.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 6.9013 4.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 8.7447 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 8.4897 3.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 7.5636 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 6.3024 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0785 6.7178 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 5.5908 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 5.4474 3.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 3.1310 3.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 2.3808 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 3.7045 0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 1.3612 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 1.5422 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 4.1330 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 3.8489 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0855 1.9641 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5508 2.2340 -2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 4.2571 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7521 4.4898 -2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 2.1491 -2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 3.6150 -3.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 1.5837 -4.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 1.5653 -4.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 3.6948 -5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 2.4230 -6.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 4.8999 -5.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 5.3976 -4.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 4.7913 -3.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 4.2574 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 2.5093 -4.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 3.1963 -5.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 -1.3884 -6.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -0.5102 -6.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -2.3763 -4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 -1.5093 -3.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9272 0.4152 -3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.1149 -4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -0.0660 -2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.8544 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -2.1893 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -1.8522 -3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -3.7086 -4.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -4.1457 -2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 -5.2583 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 -4.4137 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -3.8971 -3.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -2.6346 -1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -4.5217 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -5.6318 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 -4.9206 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 -4.2587 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -2.6528 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 -2.0499 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0417 -2.8570 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -1.5652 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9419 -4.5425 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8925 -3.1436 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 -2.0368 2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6675 -3.3877 3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0488 -5.4912 2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7414 -5.6789 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 -7.1687 3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -5.7910 4.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7915 -4.6287 5.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 -6.2487 5.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 -5.4915 6.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 -6.9525 5.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -4.1062 4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -5.6455 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 -6.6754 4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4485 -5.2460 5.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 -5.4031 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -3.8742 3.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 -6.3456 4.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 -4.6505 5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 -5.1801 3.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 1 23 83 1 0 24 84 1 0 24 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 50130 1 0 M END