HMDB0044593 RDKit 3D TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 167166 0 0 0 0 0 0 0 0999 V2000 2.7690 -4.0887 -2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 -3.8566 -2.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 -2.4658 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 -2.0232 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 -2.7441 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 -4.1727 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 -4.9260 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -4.4827 2.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -5.0840 2.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -5.8298 3.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 -6.0884 4.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -5.6403 5.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 -4.9042 6.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 -4.3354 5.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -2.8512 5.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 -2.1929 6.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6423 -2.7224 6.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 -2.4910 6.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 -1.1121 5.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -0.4387 4.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 -1.1807 3.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 -0.5981 2.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 0.1015 2.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 -0.8516 1.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -0.4366 -0.2422 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2256 0.8394 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 1.8576 0.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2712 3.1340 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 3.4895 -0.4571 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 4.0868 1.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4258 4.6614 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 5.5298 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 6.0621 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 6.8063 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 7.4281 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 6.6100 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 5.9133 -1.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 4.6400 -1.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 3.6914 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 2.6887 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 1.5834 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 1.8489 1.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.4906 2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 0.6570 4.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 1.3857 4.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 1.4615 6.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4947 -1.3632 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 -2.4835 -1.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6618 -3.4652 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 -3.3706 0.5558 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -4.6269 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8174 -4.7598 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -4.9038 -2.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3095 -5.0509 -3.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -5.2525 -5.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 -4.1429 -5.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -2.8537 -5.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 -1.7791 -6.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -0.5028 -6.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 0.6160 -7.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 0.9352 -6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 1.3695 -5.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 2.6108 -5.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 3.0548 -3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 4.2830 -3.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 -5.1324 -2.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -3.4079 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 -3.8433 -1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -4.6410 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 -3.9835 -3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -1.7159 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9323 -0.8770 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 -2.3614 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 -2.2802 1.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2513 -4.6447 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0441 -5.9987 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 -3.3499 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 -4.6987 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 -4.9053 1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -6.2590 3.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -6.1413 4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 -7.2875 4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -5.9870 6.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5545 -4.6747 7.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -4.7305 5.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 -4.6371 4.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -2.3448 5.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -1.0819 6.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 -3.8093 7.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -2.1762 7.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 -2.9036 6.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1305 -3.1881 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -0.4366 6.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 -1.0398 5.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.6019 4.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -0.2884 4.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -2.2457 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4478 -1.1533 3.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 0.0424 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9629 1.0619 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2957 0.5893 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2079 3.5472 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 4.8577 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 5.2863 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 3.8440 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 5.0299 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 6.4072 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8395 6.8411 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 5.2921 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 7.6589 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 6.1930 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 8.3211 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 7.9265 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 6.0226 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 7.3976 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 6.5681 -2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 4.1806 -2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 4.0697 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 3.0939 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 2.2402 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 3.1764 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 0.9178 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2824 0.9051 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 2.3804 2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 2.3905 2.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 -0.1650 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 0.0172 2.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 1.1795 4.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 -0.3559 4.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 2.4289 4.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 0.8299 5.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 0.7450 7.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 1.1320 6.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9058 2.4561 6.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 -0.8669 -2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5422 -1.7680 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 -5.5925 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 -4.5761 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 -5.6579 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 -3.8512 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 -4.0344 -3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0633 -5.8293 -2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -5.8988 -3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -4.0939 -3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 -5.4327 -5.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 -6.2254 -5.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -4.3795 -6.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4653 -3.9747 -5.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -2.9895 -6.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4915 -2.5412 -4.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 -1.7042 -6.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5376 -2.0933 -7.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.1302 -5.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -0.6876 -7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4896 0.2986 -8.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 1.5432 -7.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 0.0912 -6.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1997 1.7731 -7.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 0.5589 -4.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 1.5750 -5.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 3.4489 -5.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8839 2.4031 -5.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 2.2114 -3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 3.2841 -3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 5.1765 -3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 4.1578 -2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 4.5047 -4.3672 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 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 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 1 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 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 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 1 26100 1 0 26101 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 36115 1 0 37116 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 46132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 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 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 65167 1 0 M END