HMDB0047970 RDKit 3D TG(14:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) 151150 0 0 0 0 0 0 0 0999 V2000 4.7046 -2.7370 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -1.6225 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0724 -0.7334 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8949 0.5303 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9504 1.4236 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0607 1.0160 -1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 0.9789 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 1.3556 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 0.1411 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 0.1349 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 1.2712 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 1.0406 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7316 -0.2132 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8896 -0.4215 -1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6387 -1.6979 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7355 -2.8689 -1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -4.2162 -0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 -4.4995 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9161 -4.6988 0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -4.5420 1.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 -4.8309 2.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 -4.6540 3.4276 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1860 -3.1636 3.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 -2.3570 4.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -0.9733 3.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 -0.5974 3.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6841 0.0444 4.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 1.3870 4.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0809 2.5017 4.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6247 3.8024 3.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3463 4.9380 4.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2161 6.2687 3.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 6.9583 3.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 6.3738 2.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 6.9969 1.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 8.3301 1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 9.3120 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 9.5019 2.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 10.0338 3.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 -5.4025 2.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -6.4298 2.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -6.9134 4.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0506 -6.9777 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 -6.3381 1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -6.7993 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4969 -6.3802 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -4.8847 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -4.4784 -1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 -4.9056 -3.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -4.4581 -4.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 -3.6297 -5.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -3.0488 -5.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 -1.5580 -5.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -0.7549 -6.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 -0.7133 -6.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.3503 -5.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0146 0.9523 -5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 1.6505 -4.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 2.0743 -4.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -2.3833 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 -3.6747 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 -2.9142 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -1.2525 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -2.1943 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 -1.2389 0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 0.9823 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 2.2477 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 2.0903 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 0.7525 -2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 0.6670 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 1.6042 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 2.2175 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 -0.8024 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 -0.8219 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 2.2597 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 1.4136 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 1.8998 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 0.9630 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 -0.1556 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0178 -1.0422 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 0.4690 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 -0.4610 -2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5767 -1.7555 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9559 -1.6653 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7827 -2.7942 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -2.7734 -2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 -5.0007 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2012 -4.3325 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -4.1398 3.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2618 -5.8686 2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -4.8551 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -2.9466 3.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 -2.8907 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -0.0169 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7751 -0.1232 4.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 1.6086 4.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 1.3707 2.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1581 2.3872 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 2.6448 5.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 3.8662 4.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 3.6767 2.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 5.0332 5.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 4.6859 4.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 6.3123 2.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8945 6.9704 4.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 6.9614 4.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0559 8.0628 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 5.3728 3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 6.4313 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 8.2085 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 8.7164 1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 8.9295 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 10.2765 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 8.5205 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 10.1896 2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 9.2076 4.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 10.4706 3.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 10.7908 4.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 -6.8491 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 -8.0702 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 -6.7835 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 -5.2607 1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 -6.3373 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 -7.8971 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -6.8560 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 -6.6879 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 -4.3949 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 -4.5434 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -3.3491 -1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -4.8487 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 -4.4971 -3.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 -6.0329 -3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 -4.8747 -4.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0743 -3.4025 -6.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 -3.3387 -6.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 -3.4556 -4.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1598 -4.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4192 -1.3967 -5.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -1.3161 -7.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 0.1949 -6.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.1068 -7.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -1.6027 -7.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -1.1558 -5.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -0.5307 -6.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 1.6796 -6.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 0.8098 -4.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 2.6041 -3.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 1.1264 -3.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 1.4499 -4.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 2.1678 -5.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 3.1380 -4.5534 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 1 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 2 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 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 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 21 89 1 0 21 90 1 0 22 91 1 1 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 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 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 39118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 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 59151 1 0 M END