HMDB0044090 RDKit 3D TG(16:0/18:1(11Z)/20:1(11Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -4.8150 2.9963 -3.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 3.9539 -2.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 3.5234 -1.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0021 4.4435 -0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 4.4641 -1.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 5.3874 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 4.9468 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 4.5868 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 4.5491 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 5.3809 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4056 5.3496 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 5.8950 -2.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 5.4756 -3.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 4.1030 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3238 3.3252 -4.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 1.9305 -5.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 1.1686 -4.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.1653 -4.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6862 -0.5854 -5.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 -0.9446 -3.3297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 -2.2305 -3.4934 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4502 -2.1981 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 -3.4183 -2.8967 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -3.7972 -4.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 -3.0689 -5.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 -5.0539 -4.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -4.6783 -4.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -5.8982 -4.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 -6.9334 -3.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 -6.3752 -2.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -7.4435 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -6.9454 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2084 -6.4340 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6467 -5.9969 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0162 -5.4691 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4089 -4.2751 1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4738 -3.2579 2.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9278 -2.8660 3.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 -1.8324 4.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4415 -1.4422 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -0.4336 6.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4023 0.8537 5.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4448 1.8183 5.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9336 2.1509 7.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -3.2133 -2.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8462 -2.8505 -1.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -3.5085 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 -4.5302 -0.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -2.9702 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -3.5460 1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 -2.9895 3.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 -1.4872 3.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 -0.8788 4.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 0.6302 4.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 1.2374 5.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1152 2.7152 5.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 3.2178 5.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 2.7324 5.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 3.2113 5.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 2.8136 3.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 1.3227 3.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 1.0211 2.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 -0.4684 2.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 2.5513 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 3.6057 -3.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 2.2690 -3.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 4.9921 -2.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 3.8471 -3.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9077 3.4461 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 2.5157 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 5.4470 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6257 4.0471 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4948 3.4781 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 4.9111 -2.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 6.4155 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 5.4476 -2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 4.9393 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 4.2790 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 3.4561 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 4.9213 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 6.4447 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 5.0169 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 5.9152 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8201 4.2946 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 5.9764 -3.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 7.0244 -2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 6.0336 -3.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 6.0435 -4.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 3.4989 -3.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 3.9971 -4.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 3.7808 -5.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.1469 -4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 1.3845 -5.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 2.0862 -5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 1.7341 -3.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 1.1485 -3.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 -2.5690 -4.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 -1.3298 -2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -2.0809 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3849 -5.7146 -3.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -5.6032 -5.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 -4.1035 -3.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -4.0182 -5.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -6.3597 -5.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7796 -5.5731 -4.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 -7.3899 -3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -7.7657 -4.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -5.5447 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 -6.0514 -2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -7.8845 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8874 -8.3000 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -7.7271 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -6.1004 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8733 -7.2127 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 -5.5245 -0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6099 -6.9123 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 -5.2992 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8124 -6.1429 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4734 -3.9937 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 -2.2955 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4318 -3.5547 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9477 -3.7210 4.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9488 -2.4507 3.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 -2.2922 4.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 -0.9521 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5398 -2.3467 6.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4841 -1.0235 5.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 -0.2173 7.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4989 -0.8363 6.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 0.6979 4.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3767 1.3915 5.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 2.7420 5.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 1.2746 6.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 3.0502 7.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0408 2.3075 7.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6672 1.3155 8.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -3.2287 -3.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -4.2039 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -3.1009 1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.8809 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -4.6461 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -3.3943 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 -3.4114 3.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -3.2825 3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -1.0387 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -1.2544 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 -1.3155 5.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -1.0724 5.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 0.9109 3.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 0.9984 3.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 0.9392 6.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 0.7879 6.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 3.0936 6.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 3.1433 5.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 4.3391 5.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 2.9983 4.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 1.6256 5.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 3.1078 6.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 2.7067 5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 4.2937 5.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 3.2062 3.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9129 3.2632 3.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 0.8626 4.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 0.8786 4.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 1.4615 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 1.4555 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -0.9497 2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.6662 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0319 -0.9311 2.8310 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 0 24 26 1 0 26 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 2 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 43 44 1 0 21 45 1 0 45 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 1 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 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 6 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END