HMDB0052623 RDKit 3D TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2n6) 167166 0 0 0 0 0 0 0 0999 V2000 -0.2607 4.5587 -10.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 3.3298 -11.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 2.1201 -10.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 0.8626 -11.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7428 -0.3217 -10.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 -0.2050 -9.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -1.0352 -8.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 -2.2122 -9.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -3.5537 -8.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -4.0227 -7.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -3.3067 -6.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 -3.9529 -6.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 -3.9828 -7.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 -2.6919 -8.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 -1.8289 -7.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.5690 -6.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 -1.9435 -5.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6306 -1.3986 -4.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 -0.2115 -4.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 0.1945 -2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 1.2000 -2.6731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 -0.5454 -1.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 -0.3391 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 -0.4786 -0.0015 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8749 -1.8802 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -2.7972 0.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -4.1457 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -4.4864 -0.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 -5.1687 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 -4.8175 2.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 -3.6877 1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9666 -3.2885 3.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -2.9916 4.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -4.1793 5.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -3.8377 6.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 -3.0851 7.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 -1.9007 7.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 -1.2611 7.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 -1.0482 8.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 0.0512 9.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9673 1.3620 8.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 1.8093 8.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 3.0495 7.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 4.3322 8.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 4.4481 8.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5802 0.4831 -0.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 1.5339 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 1.5884 1.2859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 2.5081 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 3.6042 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 3.1052 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 4.1920 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 5.2472 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8672 4.9036 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1135 4.3358 1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6743 5.2519 2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9693 5.0474 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8696 3.8716 4.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4346 2.5862 3.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 1.8921 4.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 2.3467 5.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5765 1.3996 6.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 -0.0071 5.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2658 -0.9474 7.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 -0.5710 8.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 4.2755 -10.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 4.9740 -10.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 5.3207 -11.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 3.4730 -11.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 3.1477 -12.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 2.2780 -9.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 2.0440 -10.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 0.7014 -12.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 0.9462 -11.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -1.2429 -10.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 -0.3515 -10.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 0.6722 -8.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 -0.7429 -7.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 -2.1711 -10.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 -2.0229 -9.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 -4.3547 -9.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 -5.1502 -7.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 -3.5080 -5.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -2.2330 -6.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 -3.5002 -5.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -5.0184 -6.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 -4.5727 -8.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 -4.6046 -7.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5262 -2.1194 -8.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -2.9445 -8.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -0.8544 -7.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.7668 -6.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -3.5586 -6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -2.9734 -7.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 -2.7090 -5.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 -1.1226 -6.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5607 -1.1028 -3.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -2.1966 -3.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -0.3248 -4.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.6875 -4.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5149 -0.9907 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 0.7151 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -0.3315 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 -2.0719 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -2.0044 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 -5.4930 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 -6.0694 1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -4.5516 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 -5.7530 2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 -3.9149 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -2.7906 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 -4.0231 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -2.3392 2.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -2.4631 5.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -2.2016 4.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0103 -4.7781 5.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -4.8914 4.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 -3.5421 6.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 -4.8829 7.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 -3.5559 7.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0514 -1.3766 8.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -0.2380 7.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 -1.6884 6.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2915 -1.9597 9.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 0.0656 10.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 1.3090 7.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 2.1044 9.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 1.9205 9.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 0.9637 8.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8722 3.2348 7.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 2.9817 6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4334 5.1993 7.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 4.5748 9.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 3.7317 7.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 4.4107 9.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 5.5116 8.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 2.9538 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 1.9711 -1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 4.2373 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 4.1794 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 2.5696 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 2.3483 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 4.6935 2.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6832 3.8276 2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1331 5.9632 2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 5.9352 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2448 5.8143 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 4.1932 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9803 3.3116 1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8628 4.2875 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 6.2907 1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3949 5.9683 3.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9633 3.6631 4.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 4.0797 5.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0506 2.0725 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1793 0.8977 3.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7182 3.3645 5.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4146 2.2547 4.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7595 1.7738 6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5309 1.4710 6.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -0.0682 5.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 -0.3509 5.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -1.9703 6.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 -1.0460 7.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 0.2007 8.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -1.4800 8.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 -0.2220 9.1339 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 1 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 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 1 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 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 65167 1 0 M END