HMDB0095292 RDKit 3D TG(12:0/i-14:0/i-18:0) 143142 0 0 0 0 0 0 0 0999 V2000 1.1027 -9.1326 -4.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2298 -7.9009 -4.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 -6.7282 -3.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -6.9870 -2.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 -5.7483 -1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -5.9175 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 -4.7080 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -4.4224 -0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 -3.1825 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5504 -2.8128 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2164 -1.5827 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -0.4001 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -0.1919 0.5673 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 0.4061 -1.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 1.4814 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 1.3188 -2.1041 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2693 0.7748 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 0.7092 -1.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 0.1386 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.2614 0.9497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 -0.0799 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 0.4465 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 0.2458 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 -1.0996 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -2.1063 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1639 -1.6694 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 -2.7253 2.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9324 -2.6026 3.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -2.5338 4.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2365 -1.4981 4.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 -0.0763 4.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1257 0.7844 4.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9003 2.2364 4.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8029 2.8210 3.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0606 2.6755 2.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3421 3.3663 1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 3.3899 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 2.6578 -2.4746 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 2.8169 -3.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 1.7798 -4.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 4.0938 -4.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 3.7662 -5.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 2.9687 -5.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 3.6407 -5.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 4.4265 -4.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 3.9583 -3.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 5.1025 -2.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 4.8515 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 4.6552 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0924 4.4653 1.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 4.3135 2.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 3.1552 1.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9273 4.0781 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 -8.8281 -4.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 -9.7630 -5.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 -9.7116 -3.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0019 -7.6995 -5.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -8.0483 -3.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 -5.7910 -3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9004 -6.6034 -4.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4941 -7.0517 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 -7.8883 -2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 -5.6819 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 -4.8386 -1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -6.0015 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 -6.8520 -0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 -4.8260 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 -3.8292 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -4.2654 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 -5.2862 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 -2.3632 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 -3.4523 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2856 -3.6596 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 -2.6796 -2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 -1.3091 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 -1.7223 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 1.9109 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 2.3678 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 0.6478 -3.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -0.3369 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 1.2871 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4367 -1.1477 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 0.5089 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 0.1188 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 1.5710 -1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 0.8801 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 0.7990 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 -1.0048 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9732 -1.5508 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 -2.9326 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 -2.6956 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 -1.3520 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -0.7423 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 -2.9528 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -3.6934 2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 -3.5563 4.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -1.8378 4.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 -2.5561 5.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7251 -3.5754 4.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6627 -1.6211 3.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 -1.6743 4.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0765 0.3348 3.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 0.1242 5.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9355 0.4249 4.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3847 0.5118 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8398 2.8067 4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6103 2.3747 5.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 3.9182 3.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 2.4261 3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0327 1.6230 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1858 3.1790 2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2126 4.4635 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5339 3.0044 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1069 3.3816 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 4.4140 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 2.7635 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 4.6480 -4.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1804 4.7416 -3.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 3.2945 -6.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 4.7467 -6.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 2.5775 -6.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 2.0192 -5.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 4.3060 -6.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 2.8403 -5.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 4.7862 -4.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 5.4239 -4.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 3.0849 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 3.6781 -2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 6.0232 -2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0717 5.3123 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 5.7623 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 4.0168 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 3.7723 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 5.5733 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 5.3894 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 3.6426 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 5.2353 2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 2.7614 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2373 3.5175 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 2.3848 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 2.9942 3.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 4.6589 3.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 4.4295 4.3062 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 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 35 37 1 0 16 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 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 50 51 1 0 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 15 77 1 0 15 78 1 0 16 79 1 6 17 80 1 0 17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 37116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 53143 1 0 M END