HMDB0048257 RDKit 3D TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) 157156 0 0 0 0 0 0 0 0999 V2000 0.2203 -1.0953 8.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 0.2874 8.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.0740 7.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 1.6092 6.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 1.5203 5.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 2.9349 5.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 3.5372 4.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 2.9865 3.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 3.1669 2.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 2.2543 2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 0.8488 2.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3637 0.1752 1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6249 0.2495 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 1.5915 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 2.1367 -1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 3.5522 -1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1566 4.0369 -2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 3.8809 -1.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 3.5519 -0.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 4.0549 -2.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 3.7547 -1.7683 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4604 4.8890 -1.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 4.5824 -0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 5.0693 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 5.9550 -1.1051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3561 4.6705 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 4.4941 2.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 3.3990 1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 2.0281 1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 1.0115 1.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -0.3686 1.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.3428 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 -2.6845 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 -3.7127 2.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 -3.7152 2.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 -4.0596 4.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 -3.1060 4.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 -1.7460 4.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 2.5860 -2.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 2.2235 -1.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 1.3031 -2.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.8756 -3.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 0.9561 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 0.1086 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 -1.2060 -2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -2.0756 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -3.4161 -2.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -3.5097 -3.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -2.7955 -3.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 -3.0378 -4.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 -2.8380 -6.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 -3.6039 -6.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 -3.1524 -7.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 -1.7647 -7.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 -1.4214 -7.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 -1.6539 -6.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -1.2734 -6.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 -1.4697 -4.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0639 -2.9084 -4.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7599 -3.1553 -3.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2196 -2.7781 -3.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 -1.1361 8.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -1.9071 8.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2841 -1.3081 7.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.2128 7.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 0.7306 9.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 1.2277 7.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 2.1666 5.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 1.0028 6.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 1.0469 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 3.4497 6.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 4.6017 4.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 1.9445 3.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 3.6587 2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 4.2437 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4414 2.6479 2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 0.5219 2.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8687 0.2567 3.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 0.4339 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 -0.9309 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4457 -0.0604 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6233 -0.4888 -0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 1.3521 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3961 2.3331 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 1.5499 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0055 1.9824 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 4.2721 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1986 3.6770 -2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3405 5.1103 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2633 3.4619 -3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 3.3774 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 4.9231 -2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 5.8747 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 5.3969 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8045 3.6929 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 5.4546 2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 4.3803 3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2768 3.5210 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 3.4172 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 1.9708 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 1.8417 2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 1.1514 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 1.1882 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 -0.5792 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 -0.6728 2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 -1.0679 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 -1.1361 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 -2.8323 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 -4.6631 1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3568 -4.5441 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 -2.7658 2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 -4.1117 4.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -5.1091 4.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 -3.0254 4.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -3.4332 6.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 -1.8164 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 -1.0002 4.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 -1.4703 5.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 3.0905 -3.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 1.8012 -2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 1.9462 -1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 0.4764 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 -0.0185 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 0.6592 -3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 -1.7489 -3.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 -0.9805 -3.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -2.2232 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3836 -1.5362 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 -3.9476 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9262 -4.0014 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -4.5748 -3.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -3.1235 -4.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -3.1115 -2.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 -1.6816 -3.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 -4.1257 -4.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -2.4764 -4.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -1.7196 -6.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.9995 -6.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -4.7380 -6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -3.9535 -7.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -1.0391 -7.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 -1.4928 -8.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0192 -1.9125 -8.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 -0.3001 -7.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7313 -2.6841 -5.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 -0.8888 -5.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8606 -1.9183 -6.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4451 -0.2199 -6.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2067 -1.2107 -4.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7148 -0.7500 -4.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 -3.4846 -5.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0644 -3.3526 -4.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2169 -2.6990 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 -4.2572 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4230 -1.9063 -2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8271 -3.6088 -2.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -2.5048 -4.1358 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 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 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 21 39 1 0 39 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 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 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 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 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 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 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 61157 1 0 M END