HMDB0044069 RDKit 3D TG(16:0/16:1(9Z)/20:3n6) 159158 0 0 0 0 0 0 0 0999 V2000 3.9257 -1.7820 8.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -0.4680 8.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1494 -0.3141 7.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5613 -0.3444 6.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -1.5751 5.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4789 -1.3068 4.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -2.0446 3.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -3.2142 3.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 -4.3687 2.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -5.4248 3.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 -5.6404 5.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -6.8329 5.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 -6.7970 5.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 -5.5858 6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1532 -5.3647 5.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -5.2948 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6532 -5.0372 3.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 -4.9769 2.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 -3.9570 1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 -3.9581 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 -4.6091 -0.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 -3.2210 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 -2.9978 -2.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -2.0434 -2.4855 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2331 -2.0659 -1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 -0.7690 -2.0453 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 0.3404 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 0.1038 -0.6075 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 1.6679 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 2.7385 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3656 2.5582 0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 3.6292 1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1804 3.6886 1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 2.3994 1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0917 2.3890 1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 2.5364 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 1.3950 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 1.5827 -1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 1.5845 -1.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 0.2890 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 0.3807 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7985 -0.9283 -0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 -2.1008 -1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -1.9606 -3.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 -0.9250 -4.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.1190 -4.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -1.0412 -6.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 0.0458 -7.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9852 0.3993 -6.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 1.4397 -8.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 1.8734 -8.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 2.6010 -6.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 3.9806 -6.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 4.2502 -6.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 4.7927 -5.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1144 5.2142 -4.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 6.7262 -3.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 7.2707 -2.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 6.6470 -1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 7.1787 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 6.9507 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 -2.6024 8.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -2.1383 9.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 -1.6661 8.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 -0.2525 9.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 0.3481 8.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 -1.0623 7.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7011 7.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2903 0.5010 6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -0.1221 5.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 -1.7481 6.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 -2.4193 5.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 -0.4505 4.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 -1.7979 2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7388 -3.3530 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 -3.0265 2.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -4.3440 1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 -6.2590 3.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 -5.9064 5.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 -4.7613 5.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -7.8078 4.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3018 -7.7386 5.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -4.6597 6.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -5.7692 7.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -6.1877 6.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -4.4484 6.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 -6.2579 3.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -4.5283 3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 -4.1157 4.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -5.8638 4.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6267 -5.9838 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 -4.8681 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 -4.1545 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 -2.9515 2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 -4.0181 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -2.6747 -2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -0.9983 -2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8971 -2.8101 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2007 -2.2159 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7469 1.9220 -2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9275 1.6610 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 3.7339 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1007 2.7315 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 2.6927 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 1.5346 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 3.6321 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0664 4.6218 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7664 4.5775 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 3.7720 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9107 2.3150 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 1.5950 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 3.1715 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 1.4275 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 2.5452 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1211 3.4840 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 1.4722 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 0.4405 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 2.5311 -2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 0.7951 -2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 2.4303 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 1.6780 -2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 -0.5836 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 0.0855 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 1.2290 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 0.5547 -2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 -0.8889 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 -1.0849 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2142 -2.8141 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 -2.6370 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 -1.7805 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -1.1085 -6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 -2.0117 -6.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0064 0.9978 -6.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 -0.2677 -8.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 0.8549 -6.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 -0.5073 -7.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8074 0.7987 -9.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 2.2249 -8.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 2.5543 -9.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4164 1.0099 -8.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2199 1.9966 -6.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 2.6796 -7.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 4.6757 -7.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 4.3701 -5.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 4.0135 -6.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 4.9344 -4.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 5.0096 -4.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 4.6970 -3.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1019 6.9106 -3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 7.2638 -4.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 8.3708 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 6.9972 -3.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6891 5.5443 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 6.8414 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2531 8.2609 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 6.6765 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4872 7.7823 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 6.0439 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 6.7595 -1.5293 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 1 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 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 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 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 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 1 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 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END