HMDB0052520 RDKit 3D TG(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -2.5821 -3.8782 -6.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -4.0015 -5.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 -4.5250 -5.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -4.6722 -3.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 -3.3229 -3.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 -2.3416 -3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 -1.7166 -3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 -1.9052 -2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 -2.4084 -2.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5623 -3.5320 -2.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 -4.4678 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -5.7552 -2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 -6.8203 -1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 -6.9840 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -8.0267 0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -7.9627 1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2574 -6.7401 2.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -6.5683 3.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -6.4407 2.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 -5.2799 1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -5.4118 0.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 -3.9871 2.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -2.9222 1.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -3.1496 1.0710 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9296 -2.0360 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 -2.1477 -0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 -1.1118 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 -0.1712 -1.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0339 -1.0342 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1817 0.2513 -2.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 0.3732 -3.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 1.7035 -4.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 2.8361 -3.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 4.1435 -4.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 5.2655 -3.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 6.5418 -3.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 7.2709 -3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 6.7780 -3.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1933 7.6998 -1.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 8.2141 -1.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 7.9225 -2.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 7.2323 -1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 7.8914 -0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 9.0747 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4466 10.2361 -1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -3.1517 2.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -4.1762 2.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 -5.2914 2.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 -3.9490 4.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 -3.3376 5.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -3.0779 6.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 -2.4311 7.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 -1.0228 7.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -0.2303 6.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 0.1405 5.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 0.9227 5.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1136 2.1186 5.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 2.9225 4.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 4.1957 5.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4928 5.1504 4.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 6.4078 4.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2811 6.1403 5.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 5.5421 4.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 -3.7088 -7.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 -4.7753 -6.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 -2.9734 -6.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -4.6708 -4.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 -3.0001 -4.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 -3.8288 -5.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 -5.5164 -5.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -5.0125 -4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 -5.3634 -3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -3.5690 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -2.9706 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 -2.1123 -4.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -0.9812 -4.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 -0.8608 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -2.4305 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7094 -1.7860 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -3.8252 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -4.6069 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -4.0731 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -5.7834 -2.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -7.7391 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 -7.3784 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3769 -6.0533 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 -9.0364 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 -8.8654 2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0477 -6.8837 3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 -5.8193 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 -5.7554 4.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -7.5006 4.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -6.4749 3.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -7.3515 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 -1.9428 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5156 -2.9615 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6382 -4.1556 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -1.0974 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2642 -1.9357 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1586 -1.9375 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8751 -1.0316 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3197 1.1368 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2166 0.1119 -3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 -0.3683 -4.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 0.0705 -3.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 1.8501 -4.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 1.6826 -5.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 2.6844 -2.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 2.9503 -2.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 4.1132 -4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 4.3272 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 4.9483 -2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 5.3913 -2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2728 6.9247 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 8.2055 -4.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 5.8186 -2.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 6.4911 -3.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 7.9851 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 8.9006 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 7.3010 -3.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 8.9102 -3.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 6.7959 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 6.2805 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 8.1409 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 7.0932 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 8.8350 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 9.3979 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 10.3178 -1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6044 10.3598 -2.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9222 11.1933 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 -3.2026 3.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 -4.8764 4.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -4.2177 5.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -2.5737 4.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 -4.0562 6.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -2.4913 6.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7513 -2.6571 8.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 -3.0356 7.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -0.4273 8.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.9190 8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 -0.8202 5.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 0.7079 6.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.7247 4.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -0.6671 4.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 0.3969 6.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 2.6186 6.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 3.2483 3.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 2.5057 3.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 4.6629 5.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 3.8410 5.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 5.3895 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 4.6605 3.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 7.0606 3.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 6.9271 5.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 7.0565 6.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 5.3729 6.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 5.4762 3.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 6.2424 4.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 4.5555 5.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 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 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 29100 1 0 29101 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 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 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 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END