HMDB0044143 RDKit 3D TG(16:0/20:1(11Z)/16:1(9Z)) 163162 0 0 0 0 0 0 0 0999 V2000 8.8296 4.9803 -2.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4771 4.0656 -1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5978 4.0386 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3664 5.3852 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4637 5.1764 1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 4.6388 1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 5.5461 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 5.2499 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 3.9422 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5534 3.3899 -1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 2.0613 -2.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2775 1.5412 -2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 0.2141 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8859 -0.2615 -3.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -1.6112 -4.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -2.1728 -4.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0359 -1.9781 -5.8304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 -2.9295 -3.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -3.4619 -4.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8869 -4.2123 -2.8585 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2433 -3.3288 -1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -2.2189 -1.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3035 -2.4220 -2.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 -3.5745 -2.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1816 -1.2884 -2.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7589 -0.1221 -1.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6625 1.0216 -2.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3481 2.2269 -1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9007 2.6888 -1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7922 3.9456 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4242 4.5795 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4691 5.8216 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 5.5917 1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 6.9195 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 6.6657 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 5.8686 4.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 5.6498 5.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 4.8850 6.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 3.5440 5.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0455 -5.2803 -2.4074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5459 -6.5489 -2.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 -6.6881 -2.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -7.6325 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 -7.8851 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -6.8542 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -5.5833 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3931 -5.7519 1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -6.2412 3.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 -5.2510 3.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -3.8646 3.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 -2.9216 4.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -1.5395 4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -0.5863 3.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -0.7786 2.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 0.1400 2.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 -0.1035 1.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 -1.4517 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 -1.8201 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -0.9187 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -1.5332 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -2.9088 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7372 4.9680 -2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1142 4.6565 -3.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2427 6.0017 -2.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 4.3374 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4567 3.0411 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 3.4444 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 3.5591 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9597 6.1496 -0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3245 5.7808 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 6.1428 1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9211 4.4452 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 3.5986 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 4.6454 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 6.5730 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 6.0831 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 3.1588 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4746 4.0505 -2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 3.2656 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 4.1177 -2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 2.2262 -3.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2763 1.3613 -2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 1.3635 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7815 2.2709 -3.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 0.2608 -4.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 -0.5331 -2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 0.5165 -4.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 -0.4018 -2.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -1.3867 -5.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5944 -2.3140 -4.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -4.0970 -4.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0446 -2.6248 -4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 -4.7113 -3.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -2.9496 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 -3.9250 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 -1.0296 -3.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2625 -1.4916 -2.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 0.0917 -2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8707 -0.4250 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7141 1.2051 -3.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7057 0.6976 -2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0008 3.0855 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 1.9500 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 1.9118 -1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7234 2.9175 -2.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 3.6044 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5289 4.6627 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6308 3.8890 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 4.8506 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4523 6.3070 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1945 6.5761 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 5.0469 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 5.0831 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 7.5364 1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 7.4478 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 7.5498 4.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1016 5.9765 3.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 4.8755 3.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 6.4534 4.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 5.1334 5.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 6.6357 6.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 4.7115 7.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4492 5.4707 6.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 3.2621 4.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 2.7036 6.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0215 3.4639 5.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 -7.6102 -2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -8.5775 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -8.1966 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -8.8119 -0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -6.6080 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 -7.3522 1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -5.1310 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5129 -4.8414 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -6.5616 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 -4.8630 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 -6.2106 3.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 -7.2244 3.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 -5.5993 4.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1937 -5.3402 3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 -3.4876 2.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 -3.7676 4.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 -3.1645 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -3.2506 5.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 -1.3231 5.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5839 0.4018 3.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.4062 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -1.8084 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6095 1.1964 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 0.1417 3.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7892 0.6669 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 0.0637 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 -2.2506 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1676 -1.4464 2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 -1.9823 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -2.8377 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 0.0686 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 -0.8555 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0229 -1.6844 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4544 -0.8670 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -2.8793 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0398 -3.1041 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3216 -3.6503 -0.6134 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 20 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 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 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 19 91 1 0 19 92 1 0 20 93 1 6 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END