HMDB0042295 RDKit 3D TG(14:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -5.7349 1.3614 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8638 0.1949 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 0.1424 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 0.2842 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 0.5154 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5086 1.8347 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 2.0968 1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 1.0413 2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 1.3902 3.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1463 1.5830 3.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 1.4709 2.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 0.4896 3.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6131 -0.5806 2.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 -1.1033 1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 -2.4685 1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 -3.2333 0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -3.6080 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 -2.4881 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 -2.4477 -1.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 -1.3858 -1.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -0.3567 -2.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 0.7737 -2.7242 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2915 1.7784 -1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 3.0458 -2.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6636 4.1748 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7855 4.0759 -0.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 5.4682 -2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 5.8814 -2.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 6.0831 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0537 7.0966 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 7.3085 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 5.9901 2.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 6.2220 3.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 4.8825 3.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8865 4.9440 5.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1204 3.5373 5.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 3.4586 6.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 4.0832 6.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0176 3.9498 8.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 0.3219 -3.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 0.4653 -4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1219 1.0866 -5.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 0.0112 -5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -0.8249 -4.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 -2.0620 -4.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -2.8020 -3.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 -4.0322 -2.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 -4.6689 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 -5.8534 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8767 -6.4133 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 -7.6561 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -8.6424 -1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 -9.2680 -2.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 -8.2764 -3.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4894 -9.0880 -4.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2664 1.7430 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0872 2.1850 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4068 1.1013 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8138 0.0418 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -0.7173 -0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 -0.0251 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 0.2276 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6335 -0.3468 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 0.5858 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0973 2.6797 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 3.1232 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 0.8089 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 0.1251 2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.4883 4.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.8434 4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 1.3125 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 2.4709 2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 0.7020 4.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3828 -1.2300 3.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 -1.2595 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -0.4475 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 -2.3561 2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -3.1004 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 -2.7152 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 -4.2040 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2711 -4.1730 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7069 -4.3421 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 -0.0132 -1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 -0.7918 -3.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 1.3090 -3.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 1.8934 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4056 1.4666 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 5.3564 -3.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 6.3015 -1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 5.1793 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 6.8593 -2.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 6.3911 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 5.1070 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 6.6579 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 8.0369 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 7.7650 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 8.0164 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 5.3956 1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 5.4793 2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 6.8479 4.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 6.8066 3.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 4.3561 4.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 4.2944 3.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 5.5355 6.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8789 5.4099 5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6021 2.9195 4.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 3.0330 5.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4001 3.8408 7.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 2.3655 7.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 3.6154 6.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 5.1892 6.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9976 4.4359 8.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 4.4387 8.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1366 2.8967 8.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 -0.5038 -6.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 0.9300 -5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 -1.1499 -5.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 -0.1944 -4.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 -2.6723 -5.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 -1.7445 -3.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 -3.0683 -4.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 -2.1611 -2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 -3.6818 -2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4831 -4.6983 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -5.0241 -2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 -3.9125 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 -5.3847 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -6.5254 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -5.7369 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1902 -8.0199 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 -8.3360 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -9.5243 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 -9.9679 -3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 -9.8977 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -7.5388 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8701 -7.8116 -4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 -9.7751 -5.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -9.7385 -4.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 -8.4683 -5.5679 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 22 40 1 0 40 41 1 0 41 42 2 0 41 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 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 39114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M END