HMDB0005391 RDKit 3D TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) 161160 0 0 0 0 0 0 0 0999 V2000 0.8314 8.1615 -6.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 7.5196 -5.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 6.0916 -4.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 6.0143 -4.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 4.5858 -4.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 4.0893 -3.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 3.0709 -3.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 2.2485 -4.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3873 2.2194 -4.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 1.1351 -4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 -0.1775 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 -1.0758 -5.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 -2.2510 -5.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 -2.7871 -4.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 -3.0505 -4.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 -4.2259 -3.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0101 -5.4048 -3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -5.9542 -2.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -7.1396 -1.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 -6.5942 -1.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 -6.5537 -2.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 -6.1027 -0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 -5.5439 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 -5.0559 0.4271 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5851 -4.1633 1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0746 -3.0687 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -2.1863 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -2.4752 2.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 -1.0203 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -1.2785 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 -0.0700 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 1.0764 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 0.6681 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 1.7582 1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3541 2.3471 2.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7894 1.3696 3.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 1.9866 4.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 2.7996 4.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 2.1124 3.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5601 3.1430 3.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 2.7692 2.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 2.3386 1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.0963 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 -6.0953 1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 -6.1973 1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 -5.3571 0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 -7.1241 2.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -6.4450 3.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 -5.1173 3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1976 -4.4096 4.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8317 -3.0434 4.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 -2.1649 3.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 -0.8000 3.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -0.9510 2.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5845 -0.4439 2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0405 0.3355 3.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4268 1.7075 3.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3408 2.3560 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 1.9733 1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9607 2.0795 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4281 3.4960 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5121 3.5117 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9732 4.9495 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 9.1510 -6.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 7.5650 -7.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 8.4349 -5.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 7.6136 -5.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 8.0772 -4.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6643 5.6071 -4.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 5.5464 -5.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 6.6637 -3.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9159 6.4735 -5.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 3.9774 -5.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 4.7268 -3.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 4.6534 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 2.8197 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 1.2876 -4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.7656 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 3.1532 -4.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 1.1273 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -0.5551 -3.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 -0.1420 -4.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 -0.7778 -6.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4248 -2.8764 -6.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -2.1597 -3.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 -3.7652 -3.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -2.2299 -4.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9092 -4.3660 -3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 -5.3949 -3.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 -6.2234 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 -5.1565 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3825 -6.3570 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 -7.9488 -2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -7.5395 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3619 -4.6620 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6356 -6.2789 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 -4.4773 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4347 -4.8221 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 -3.8194 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7477 -0.2370 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 -0.6836 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5931 -2.0832 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5852 -1.6505 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.3719 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 0.3666 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0608 1.8796 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 1.5046 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5154 -0.1876 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 0.3217 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5423 2.6217 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2928 1.5277 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9558 3.0914 3.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5495 2.9654 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 0.8836 4.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 0.5826 2.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 1.1800 5.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7235 2.6463 5.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 3.0922 5.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 3.7538 3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 1.8472 2.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 1.2068 4.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 3.4700 4.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 4.0240 2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 1.9951 3.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 3.6695 3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 2.1391 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 3.1655 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 0.5437 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 0.4125 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 1.3652 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -7.9995 2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -7.4742 2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -7.1360 4.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -6.2906 4.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 -5.3355 3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -4.4815 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 -4.1986 5.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8731 -5.0081 5.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0944 -2.5782 5.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 -3.1668 3.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 -2.6606 2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8853 -2.0695 4.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 -0.1550 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 -0.3267 2.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -1.5424 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3104 -0.6926 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9223 -0.1932 4.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 0.3731 4.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 2.2828 4.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 3.4226 2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0651 2.7857 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3262 1.0724 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 1.3945 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5737 1.7409 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8939 3.8041 0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5907 4.1636 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3434 2.8642 -0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0841 3.1337 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0124 4.9948 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8803 5.4351 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2644 5.4424 -2.0710 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 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 41 42 1 0 42 43 1 0 24 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 2 0 55 56 1 0 56 57 1 0 57 58 2 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 0 23 96 1 0 24 97 1 6 25 98 1 0 25 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 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 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