HMDB0042386 RDKit 3D TG(14:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -4.1509 -2.5278 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -1.4449 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8391 -0.9271 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 -1.0036 -2.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 -1.6233 -2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.5089 -3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -0.1501 -2.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -0.7975 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 -1.2557 -1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -0.8699 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 0.0689 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.7548 1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -0.4012 1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 0.8693 1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5545 1.5744 2.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 2.8799 2.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 3.9631 2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2084 4.2640 2.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 5.3361 1.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 5.1730 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 4.4907 -0.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 5.7396 -0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 5.4708 -1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7952 3.9690 -1.9204 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3500 3.5561 -3.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 2.2052 -3.3267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 1.6418 -4.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 2.3845 -5.4971 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 0.2317 -4.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -0.1288 -5.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5508 -1.5811 -5.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 -2.0714 -7.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -2.1193 -8.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7569 -3.0603 -7.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2816 -4.4710 -7.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2307 -5.4532 -7.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 -5.1914 -6.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 -5.1577 -4.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 -6.4499 -4.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9387 -6.2669 -3.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7344 -7.5018 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5721 3.5219 -1.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 2.9323 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 2.7985 0.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 2.4772 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 2.1253 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 1.0357 1.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 0.6259 3.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 0.0846 3.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -0.3886 4.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 0.6601 5.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 0.0274 7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 0.3180 8.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8573 1.2950 7.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2431 0.6227 7.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3313 1.5936 7.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6284 0.7811 7.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8081 1.6597 6.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0802 0.8628 6.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4144 0.1210 8.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7124 -0.6417 7.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1812 -2.1210 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0851 -3.4795 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7773 -2.6802 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -1.7469 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -0.5907 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8257 -0.4593 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7362 -0.5838 -3.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 -2.2676 -3.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 -2.1791 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 0.0412 -4.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 0.6975 -3.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 -0.0955 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -1.7094 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 -1.9452 -2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -1.2134 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 0.2594 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6382 0.9312 -0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -1.7006 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -1.0386 2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 1.5766 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5759 0.6697 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 0.8318 3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 1.6687 3.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3024 2.8386 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 3.2468 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6027 3.5942 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2464 4.8617 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 3.3364 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 4.6042 3.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 6.3599 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 5.4117 2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 5.6226 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 6.0782 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 3.5405 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 3.7882 -4.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 4.1745 -3.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -0.4569 -4.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -0.0868 -3.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 -0.0282 -6.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 0.5288 -6.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 -1.5652 -5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8295 -2.1871 -5.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 -3.0332 -7.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 -1.3339 -7.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -2.5356 -9.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 -1.1498 -8.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -3.0930 -8.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 -2.6941 -7.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -4.7964 -8.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -4.5097 -7.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 -5.4167 -8.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -6.4651 -7.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -4.3023 -6.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -6.0565 -5.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 -4.3090 -4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -5.0506 -4.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -7.2303 -4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 -6.7209 -5.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -6.0269 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6482 -5.4061 -3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 -7.6028 -3.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 -7.3838 -1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 -8.3793 -3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 3.2992 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 1.5814 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 3.0530 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 1.8018 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 1.2254 1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7882 0.1051 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 -0.1139 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 1.5695 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 0.8557 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 -0.7509 2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -0.9201 4.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.1980 5.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4463 1.0210 6.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 1.5481 5.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0534 -0.7363 7.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9338 -0.2353 8.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 1.9618 8.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6684 1.9820 6.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4943 0.1907 8.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1638 -0.2168 6.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1678 2.1451 6.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4805 2.3097 8.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7267 0.2630 8.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5411 0.0123 6.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6345 2.2551 5.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9304 2.3708 7.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9065 1.5706 6.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0275 0.1414 5.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5036 0.8525 8.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6281 -0.6416 8.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5290 -0.1496 8.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0083 -0.7191 6.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6429 -1.6795 8.2668 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 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 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 1 0 51 52 1 0 52 53 2 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 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 41124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END