HMDB0055534 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/O-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 168167 0 0 0 0 0 0 0 0999 V2000 -3.6443 -3.9983 3.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 -2.7727 2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 -2.5300 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -1.4109 1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0318 -0.2904 2.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 0.9094 1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4717 1.9970 1.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5677 2.3963 2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2454 1.5377 3.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2961 1.6591 4.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 2.6285 5.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 3.7988 5.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 3.9994 5.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 3.0311 6.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 3.5004 7.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 3.5777 7.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 3.1711 6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 4.2956 6.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4779 5.5958 5.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 5.8806 4.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 5.6983 3.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0734 4.3452 2.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 3.3708 3.3558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 4.0454 2.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 2.6673 1.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 2.2605 0.7934 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1925 0.8103 0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 0.1336 0.3073 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2313 -1.2609 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 -1.7918 0.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 -2.1644 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -3.5537 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9356 -4.5398 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 -5.9041 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 -6.8450 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -7.4846 -2.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 -7.3264 -3.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -8.6034 -4.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -8.8861 -4.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -7.8190 -3.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6749 -7.6357 -5.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -7.8041 -5.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -8.1956 -4.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 -7.0976 -4.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1072 -7.3250 -4.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6367 -8.6470 -4.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5826 -9.0824 -3.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 2.9182 -0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 3.9312 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 4.7672 -1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 4.2608 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 3.2753 -3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3325 1.8941 -3.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 1.2044 -4.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 -0.2137 -4.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -0.5705 -3.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 0.0222 -3.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7457 -0.5043 -2.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 -0.0082 -3.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3365 1.4552 -3.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1714 1.9298 -1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 1.1594 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 1.5843 0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5469 2.9916 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9347 3.4264 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3826 3.3721 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -3.9255 3.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 -3.9394 3.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -4.9024 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0069 -1.9432 2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -3.1510 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 -3.3220 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -1.2883 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0507 -0.5531 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8116 -0.1894 3.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 0.8428 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 2.8071 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4041 2.7056 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3842 3.4411 2.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8503 0.6586 3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8993 0.8451 5.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 2.1187 6.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6667 3.0892 6.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 4.6509 4.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 4.9365 5.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 2.1099 6.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1429 2.6019 5.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 3.8233 8.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 3.9255 8.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3298 2.6898 5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 2.3551 7.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 4.4676 7.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8798 3.9133 5.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 5.9689 6.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 6.3425 6.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 6.9517 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 5.3012 4.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 6.2143 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 6.3231 3.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 2.0634 2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 2.5766 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 2.6925 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 0.3394 1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 0.5815 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9638 -1.7876 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 -2.2110 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2986 -3.9227 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -3.4748 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -4.5883 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 -4.1137 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 -5.7681 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -6.2628 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -7.0320 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -8.1652 -2.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 -7.0653 -4.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3455 -6.4446 -3.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -9.4340 -4.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7129 -9.8617 -4.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 -8.0120 -3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -6.8684 -3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 -7.3337 -6.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 -7.6329 -6.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -8.1760 -3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 -9.1987 -4.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 -6.1083 -3.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8407 -6.5127 -4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -8.4552 -5.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 -9.4044 -5.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1238 -9.9076 -2.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8049 -8.2225 -2.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5574 -9.4476 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1081 4.6747 0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 3.5990 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 5.6863 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 5.2991 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 3.9245 -3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 5.2104 -3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 3.7182 -4.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 3.1167 -4.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 1.3864 -3.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 1.7880 -2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 1.7500 -4.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 1.3104 -5.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -0.6066 -5.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 -0.8518 -4.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 -0.2493 -2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 -1.6610 -3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 1.1125 -3.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -0.3191 -4.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5197 -0.2476 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 -1.6127 -3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 -0.5781 -2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 -0.3145 -4.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6281 2.0707 -3.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3388 1.6873 -3.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 1.6286 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 3.0065 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 0.0790 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1433 1.1400 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 1.3204 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9020 0.8650 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8491 3.6719 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3313 3.2182 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 2.8533 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0728 4.4990 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 4.2453 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9918 2.4478 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5729 3.4232 -1.6135 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 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 48 1 0 48 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 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 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 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 47131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 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