HMDB0042149 RDKit 3D TG(14:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 155154 0 0 0 0 0 0 0 0999 V2000 6.3846 -2.9715 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -1.8221 2.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 -1.1791 3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8024 0.0788 3.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3551 1.0306 2.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 2.0911 3.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 3.3240 3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5327 3.7748 2.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4636 4.3311 3.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 5.5498 3.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 6.6010 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 7.1230 1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 7.1017 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 6.5623 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 5.4780 -1.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 4.8309 -1.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6643 4.9160 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3068 3.5420 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 3.3425 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 4.2942 1.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 4.2059 2.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 4.5904 1.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 5.7397 1.3668 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 3.8315 0.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 4.3758 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 3.6216 -1.8042 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6886 4.3965 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6221 4.2450 -1.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8836 4.7966 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2232 5.5066 -2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8137 4.5776 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4534 3.2914 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5844 2.1002 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2799 0.8105 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 0.4206 0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 1.1717 1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9074 0.3064 2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 0.9498 3.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 0.0443 3.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0617 -0.2102 2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -1.0969 2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 -1.4017 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 -2.1229 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 2.3224 -1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 1.3436 -2.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 1.6937 -3.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 -0.0610 -2.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -0.7974 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -2.2541 -3.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 -2.9408 -4.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 -4.4051 -4.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 -5.1345 -3.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -5.0668 -4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0024 -5.7970 -2.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -5.7767 -3.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -6.5242 -2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 -6.5514 -2.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 -7.2767 -1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -7.3087 -1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -5.9145 -1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 -5.9566 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.7431 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -3.1927 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 -3.9047 2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -1.1746 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 -2.3049 3.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5939 -1.7941 4.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 0.4983 3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1347 0.5613 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4932 1.3629 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 1.8497 3.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1187 4.1209 3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 4.6068 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 3.0942 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 3.6177 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 5.8015 3.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 6.3052 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 7.4529 2.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 7.5731 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 7.5811 -0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 6.3798 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 7.4411 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 5.1419 -2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 4.0192 -2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 5.1083 -2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 5.5636 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 2.7240 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 2.2870 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 5.3404 1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 3.9176 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 4.9163 3.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 3.2085 2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7758 4.6649 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 5.3708 -0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 3.6641 -2.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3499 5.4473 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0001 4.0406 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6604 5.4120 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8660 4.5730 -0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2502 3.2112 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5122 3.3707 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6780 2.0983 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0571 2.2565 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0576 0.6188 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6141 -0.0206 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 0.1898 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0659 -0.6431 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 2.1465 1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6954 1.3218 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2565 -0.6962 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 0.2866 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 1.1201 4.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6248 1.9054 2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1585 -0.9043 3.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1191 0.5674 4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7659 -0.8422 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 0.7470 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 -0.7197 3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -2.0760 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -2.1215 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 -0.5225 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -2.1007 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -1.7215 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -3.1956 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -0.5905 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -0.0696 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.7649 -3.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 -0.3497 -4.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -2.7287 -2.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0378 -2.2561 -3.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 -2.4823 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 -2.7788 -5.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 -4.4542 -4.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 -4.9140 -5.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 -6.2157 -3.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -4.7402 -2.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -4.0058 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 -5.5543 -5.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -5.3078 -1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -6.8557 -2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 -4.7507 -3.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -6.3375 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 -6.0327 -1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -7.5569 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 -5.4974 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 -7.0051 -3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -8.3309 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -6.7855 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 -7.8291 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -7.8284 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 -5.3796 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 -5.3134 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 -5.1919 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2264 -5.7874 -2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3438 -6.9519 -1.1589 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 2 0 29 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 26 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 6 27 96 1 0 27 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 M END