HMDB0053250 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/O-18:0) 168167 0 0 0 0 0 0 0 0999 V2000 3.8264 -2.8596 8.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -2.9524 8.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -4.3096 8.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 -4.5805 7.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8967 -3.5536 6.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4793 -3.7990 4.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 -4.0249 3.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -4.0575 3.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3509 -5.3379 3.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 -5.4317 2.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -4.1928 1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 -3.9496 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 -3.9376 0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2129 -4.1651 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8538 -5.4049 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5847 -5.5532 -2.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9149 -4.4466 -3.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3996 -4.8271 -4.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5837 -4.1049 -5.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 -2.8266 -4.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 -2.8693 -4.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9359 -1.4861 -4.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 -0.4824 -4.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.2892 -3.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 -0.0560 -3.7491 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1103 0.1325 -4.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6215 1.3953 -4.4453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 1.6395 -5.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 2.9846 -4.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 3.3807 -3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 2.9461 -2.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 1.5772 -2.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 0.6527 -3.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.7014 -2.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8033 -1.3468 -2.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2051 -2.7031 -1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -3.4434 -1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 -2.6469 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9831 -2.3070 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 -1.5094 1.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -0.2112 1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 0.5343 2.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 0.9117 3.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 1.6751 4.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 2.1192 5.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 0.1988 -2.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 0.2737 -1.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 -0.5613 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 -1.6834 -1.3686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.2817 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 0.4268 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3519 1.8262 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 2.2404 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6839 1.5513 -2.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3737 2.1650 -3.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5608 3.6272 -3.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0413 3.9131 -4.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 4.7522 -5.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 5.6390 -4.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 5.3547 -4.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 5.0483 -3.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 4.9382 -2.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 5.9588 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 6.0564 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 6.3843 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2056 5.3398 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2574 -3.8293 9.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 -2.1156 9.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 -2.5666 7.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -2.8781 9.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 -2.1091 8.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -5.1306 8.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -5.6287 6.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 -3.2206 6.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4865 -2.6034 6.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 -3.7928 4.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -4.1966 2.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -3.1404 3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -4.1167 5.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -6.2750 3.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 -6.4028 2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 -4.2590 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 -3.3120 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 -3.7742 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8173 -3.7564 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 -4.1199 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -3.2955 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -6.2979 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0048 -6.5455 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0544 -4.4392 -3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6517 -3.4549 -2.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7982 -5.8045 -4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 -4.5051 -6.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 -2.1322 -5.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 -2.3568 -3.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -3.6030 -3.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 -3.1742 -5.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 0.7960 -4.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -0.0163 -5.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -0.6478 -4.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 1.5555 -6.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.8292 -5.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 3.1994 -5.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 3.7220 -5.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 4.5639 -3.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 3.3690 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 3.5049 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8416 3.4835 -3.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9181 1.5605 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3016 1.0369 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 1.1090 -3.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 0.4623 -4.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5532 -1.3072 -3.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 -0.6107 -2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 -0.7816 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1944 -1.5843 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 -2.6071 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -3.2912 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3077 -3.5683 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -4.4346 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -1.7965 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -3.3310 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3219 -3.2046 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 -1.7191 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -2.0681 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 -1.2731 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 -0.4773 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 0.3962 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 -0.1102 2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 1.4694 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 0.0329 4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 1.6212 3.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 2.5419 3.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 1.0017 4.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 1.7787 5.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 1.6944 6.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 3.2307 5.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 1.1875 -2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 -0.5739 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 0.2179 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 -1.3055 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 0.3792 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 -0.2505 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7529 2.4463 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 2.1608 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 3.3554 -1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 2.2618 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6558 0.4438 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 1.4878 -4.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6417 3.9056 -3.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 4.2712 -2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4993 3.3248 -5.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 4.8379 -6.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 5.6984 -3.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 6.6838 -4.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 5.4170 -5.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 4.8539 -3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 3.8970 -1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 5.1320 -2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 6.9745 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 5.7862 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 5.0746 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 6.7776 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 7.3591 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 6.5181 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9456 5.6503 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 4.4288 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 5.1251 1.3826 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 2 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 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 6 26 99 1 0 26100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 61157 1 0 62158 1 0 62159 1 0 63160 1 0 63161 1 0 64162 1 0 64163 1 0 65164 1 0 65165 1 0 66166 1 0 66167 1 0 66168 1 0 M END