HMDB0049876 RDKit 3D TG(18:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -7.4226 -7.8343 4.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0246 -7.1220 6.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3023 -5.6961 6.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4281 -4.7323 6.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9612 -4.9741 6.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6222 -4.2430 7.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 -3.3447 7.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 -2.9124 6.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 -1.4798 6.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -0.9510 5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 -1.7949 3.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9744 -1.5699 3.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 -1.2088 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 -0.9995 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2212 -2.0003 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -1.8602 -0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 -2.8233 -2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 -2.9806 -2.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -3.6703 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -3.1613 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 -3.7007 0.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 -2.1109 -1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 -1.7786 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -0.7829 0.4404 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1726 -0.4224 1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2754 0.4162 2.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 0.9141 3.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 0.6157 4.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 1.7803 4.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 3.0773 4.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 4.0373 3.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0409 3.6298 2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 4.7762 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 4.3783 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 3.9991 1.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 5.0700 2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4617 5.6354 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 5.2631 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 6.4861 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2103 6.2097 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 7.4858 -1.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0531 7.2981 -3.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4901 6.9045 -2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2361 7.9453 -2.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1708 9.2704 -2.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 0.4543 -0.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 0.9442 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1363 0.2245 -0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0775 2.2133 -1.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4916 2.5324 -2.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 2.7222 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8075 3.0224 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3023 1.8945 -2.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7361 2.0989 -2.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1604 0.9320 -3.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -0.3471 -3.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 -1.3215 -3.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4328 -1.2088 -4.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 -1.3756 -4.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 -1.2609 -5.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -1.4212 -4.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -1.3138 -5.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 -1.4970 -5.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9389 -8.8215 4.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5089 -7.9783 4.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 -7.2211 4.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7962 -7.4785 7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0329 -7.3445 6.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3654 -5.4270 5.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -3.6976 5.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7804 -6.0442 6.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 -4.5816 5.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2023 -4.4837 8.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.8588 8.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 -3.0100 6.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8652 -3.5916 5.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 -0.7588 7.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 0.1249 5.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 -1.5128 3.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4506 -2.8844 4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8451 -1.7004 3.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1294 -1.0508 1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.9941 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1831 0.0073 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2842 -3.0194 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 -1.6517 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 -0.7802 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -1.8794 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 -3.8421 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -2.4985 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 -1.9979 -3.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 -3.6022 -3.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -3.7427 -3.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -4.7344 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4763 -2.7297 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 -1.4182 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1758 -1.2416 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -1.3666 2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2257 0.0724 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 1.9983 3.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7738 1.1797 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 3.5716 5.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 2.8666 5.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 4.3955 3.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8756 4.9602 4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 2.7409 2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 3.4812 3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3822 5.6458 2.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5258 5.0782 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 5.1600 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 3.4977 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 3.1731 2.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3847 3.4991 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 5.3951 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 6.4514 2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 4.3393 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3332 5.1327 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 6.9186 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9802 7.2246 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 5.7676 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6419 5.4691 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6374 8.3361 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2338 7.7304 -2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 6.5000 -3.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0305 8.2418 -3.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5557 5.9159 -2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9765 6.8671 -3.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8419 8.0726 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3038 7.6305 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1789 9.7113 -2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9785 9.9191 -2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2282 9.1068 -3.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 2.1274 -2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 3.0744 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 1.6725 -2.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4965 3.4457 -2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 1.8812 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0671 3.6244 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8996 4.0120 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4424 3.0601 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6879 1.9280 -3.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1257 0.9106 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 2.1342 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8651 3.0418 -3.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6749 1.0283 -4.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2626 1.1013 -4.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 -0.4952 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 -2.2761 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 -2.1079 -5.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -0.3541 -5.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3545 -3.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 -0.6004 -3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1358 -0.3179 -5.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 -2.1094 -6.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4728 -2.4321 -4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -0.6717 -4.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -2.1284 -6.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 -0.3315 -6.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4573 -1.6258 -6.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8502 -0.6378 -4.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 -2.3849 -4.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 19 20 1 0 20 21 2 0 20 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 2 0 27 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 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END