HMDB0048832 RDKit 3D TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -4.1925 2.0371 -6.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8127 0.6568 -6.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 0.2728 -4.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 0.9851 -3.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 2.4430 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5281 2.8891 -2.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 3.7668 -2.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 4.4567 -3.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 4.0673 -4.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 4.9458 -4.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 6.3558 -4.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 7.1621 -3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 6.9169 -2.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 5.5881 -1.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 5.0434 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 5.5561 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 6.8506 0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 7.0376 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 6.4340 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 4.9672 1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 4.3544 0.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 4.1326 3.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 2.7460 2.9044 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1107 2.1374 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 0.7656 3.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -0.1378 3.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 0.2268 4.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -1.5884 3.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 -1.7134 1.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -1.1683 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -1.2365 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 -2.6236 -0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -2.7232 -2.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 -1.8943 -2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 -1.8561 -4.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 -2.4659 -5.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 -3.4446 -5.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -4.7711 -5.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -5.8340 -5.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -6.3913 -4.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -5.5716 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 -4.8543 -4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3604 2.0656 3.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 2.1140 4.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 3.2130 5.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 4.3387 4.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 3.2327 6.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5988 1.9432 6.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 0.8112 6.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4015 -0.4363 7.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4075 -0.8867 6.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 -1.4052 5.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0108 -2.6736 5.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -3.1708 4.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -4.5058 4.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 -4.3657 5.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 -4.6241 5.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 -5.1015 3.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 -6.4618 4.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -7.0646 2.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 -6.1798 2.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -6.8236 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -5.9053 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3099 2.7253 -6.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 1.9597 -7.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0159 2.4592 -5.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 0.5430 -6.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -0.0765 -6.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1071 0.3285 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 -0.8486 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1123 0.7587 -3.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 0.5114 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 3.0824 -4.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 2.5437 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6736 2.4409 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 4.0444 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 4.1031 -4.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 5.5208 -3.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 2.9718 -4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0129 4.4729 -4.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 6.7789 -5.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 6.7292 -4.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 8.3058 -3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 7.8202 -1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 4.8138 -2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 5.6469 -1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 3.9648 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9213 4.8890 1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 7.2829 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 7.6521 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 8.1576 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 6.8170 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 6.7424 2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 6.7699 3.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 2.5134 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 2.6195 3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 2.3922 4.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -2.0288 3.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -2.1037 3.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0389 -1.1325 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -2.7730 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 -0.0782 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -1.6854 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 -0.5374 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -0.8466 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 -3.0844 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.2390 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 -3.7810 -2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 -2.3924 -2.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -2.0984 -2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8427 -0.8082 -2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5276 -1.1297 -4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -2.2473 -6.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -3.0740 -6.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 -3.5109 -4.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 -5.1609 -5.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 -4.6172 -6.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -6.7064 -6.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -5.4741 -6.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -7.2934 -5.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 -6.8824 -4.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 -6.3544 -3.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -4.9510 -3.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8591 -3.9135 -4.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 -5.5604 -5.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -4.5840 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2607 0.9531 2.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 2.3989 2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 4.0046 6.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2802 3.6251 7.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 2.0070 7.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 1.6372 5.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1363 0.4963 6.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 1.0468 7.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 -0.1097 8.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 -1.1998 7.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -1.7553 6.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1463 -0.1244 6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1986 -0.6620 4.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -1.6885 4.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7479 -3.4661 5.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -2.5419 6.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6344 -2.4630 3.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -3.2670 3.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -5.2532 4.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -4.9205 3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 -4.0156 6.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 -4.4579 6.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -5.2341 3.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 -4.4206 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 -6.3286 5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 -7.1203 4.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 -8.0388 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -7.2732 2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -5.2470 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 -5.8856 3.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 -7.7916 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 -6.9988 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3366 -6.2309 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -5.9232 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -4.8657 1.0379 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 2 0 26 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 23 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 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 6 24 96 1 0 24 97 1 0 28 98 1 0 28 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 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 42124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 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 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 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 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END