HMDB0055312 RDKit 3D TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 157156 0 0 0 0 0 0 0 0999 V2000 0.2297 8.7943 -2.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 7.3310 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3059 6.4294 -2.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 5.5253 -2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 5.3576 -3.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 5.5457 -2.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 4.6123 -3.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 3.2745 -3.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 3.1944 -4.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 2.2751 -5.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 1.1543 -4.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 1.2530 -3.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4454 0.3384 -4.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0925 -0.8016 -5.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 -2.1731 -4.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8066 -2.7268 -3.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3047 -2.0319 -2.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6186 -2.6072 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 -2.3972 -1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4889 -3.0828 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2465 -3.8778 0.6064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 -3.0174 0.3701 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -3.8101 1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 -3.6015 1.8641 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4514 -3.9248 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 -2.8838 -0.2511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 -1.6148 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -1.3469 0.9312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.5357 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 0.7501 -0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1249 0.7905 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 2.0621 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 2.4137 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 2.7051 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 3.3020 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 3.7151 -2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 3.4370 -3.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2977 2.5954 -2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5699 1.4723 -3.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6721 0.2099 -3.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5171 -0.3370 -1.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 -0.9257 -1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0188 -2.1699 -1.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9613 -3.1584 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 -3.7910 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -2.3813 2.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -2.3090 3.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 -3.3857 4.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 -1.0326 4.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 -1.2666 5.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -1.9323 4.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -2.2076 5.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 -2.9495 4.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -3.2679 5.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4806 -4.0371 4.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 -5.2214 4.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -5.5023 2.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 -4.6397 1.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 -4.1566 1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9197 -2.9598 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -1.6704 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9929 -1.5694 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5356 -0.9189 2.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 -0.1178 3.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 1.3433 3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 9.1316 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1173 8.8660 -1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 9.4675 -3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 7.1462 -4.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 7.2639 -3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 6.5258 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3775 4.8767 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 4.2782 -3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 5.8993 -4.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8873 6.4753 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 4.7580 -2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3501 2.5157 -2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 3.1352 -4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 4.0120 -5.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 2.3421 -6.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 1.3058 -3.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 0.2357 -4.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8954 2.1293 -3.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 0.5548 -3.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7624 -0.6828 -6.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0866 -0.7316 -5.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 -2.9349 -5.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -3.8640 -3.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4144 -2.1748 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 -0.9560 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9283 -3.6466 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0278 -1.9770 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 -2.6586 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9166 -1.2899 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8952 -4.8793 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 -3.7256 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -4.3987 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 -4.0909 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 -4.8290 0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2328 -0.4789 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5741 -0.8558 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 1.6337 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 0.9550 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 -0.0646 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 0.8065 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 2.8917 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 2.1413 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 3.2932 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 1.6071 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 3.4032 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 1.7118 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 4.2038 -0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 2.5144 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 4.3947 -2.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3144 3.8673 -4.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2467 2.3766 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2133 3.2800 -2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7144 1.7398 -4.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8822 -0.5326 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4067 0.5096 -1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6679 -0.9852 -1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6719 -0.1728 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0430 -2.5388 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9826 -2.9094 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3169 -4.0127 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 -4.5035 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9498 -2.9934 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9195 -4.3417 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -0.2915 3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 -0.5829 4.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 -0.2458 5.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -1.7709 6.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 -1.2207 4.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -2.8850 4.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9777 -2.8891 6.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -1.3098 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -3.9595 4.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 -2.4368 3.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -2.3772 5.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 -3.9489 6.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7943 -3.3243 3.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3655 -4.4035 5.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 -5.9380 4.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -6.4573 2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1999 -3.8455 2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 -5.2641 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 -4.9807 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -2.8939 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -1.2150 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 -0.9568 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7225 -2.1017 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 -0.9603 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6908 -0.1188 3.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0299 -0.4371 4.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 1.6263 2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 1.9780 3.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1741 1.4462 3.9310 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 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 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 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 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 63152 1 0 64153 1 0 64154 1 0 65155 1 0 65156 1 0 65157 1 0 M END