HMDB0048992 RDKit 3D TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) 157156 0 0 0 0 0 0 0 0999 V2000 6.0461 7.7038 -3.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 8.1974 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 9.6379 -2.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 10.3406 -1.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 9.7490 -0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 10.2588 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 11.0099 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 11.4216 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 11.1956 1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8977 10.4245 2.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 9.5948 3.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6286 8.3053 3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 7.1132 3.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 6.6206 1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 5.8197 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 6.0440 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 7.1182 -0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8864 6.5439 -2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 5.6072 -2.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 4.3512 -1.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 4.1889 -0.5794 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 3.2694 -1.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 2.0532 -0.9335 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4997 0.8900 -1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 -0.2550 -1.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -0.2398 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 0.8470 -0.6004 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7181 -1.3316 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -2.5211 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 -3.2337 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 -4.4849 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 -5.2921 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -6.5032 -0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -7.6719 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4411 -7.6088 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 -8.3444 2.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 -9.3359 2.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -8.9049 3.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 -8.6254 2.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 -8.6855 1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 -9.7012 1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 -9.9959 0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -8.9158 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -7.7760 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 2.0524 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 0.9734 0.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4438 0.9826 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 2.0227 1.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 0.0563 2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.2243 2.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0894 -2.2240 1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 -2.7642 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7884 -1.7868 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 -2.4615 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 -1.4165 -2.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4393 -1.9485 -2.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6385 -1.4607 -3.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1082 -0.2643 -2.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3446 -0.5768 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7948 0.7121 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0094 0.4826 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3931 1.8357 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6139 1.6960 1.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 8.3438 -4.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 7.7969 -4.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 6.6717 -3.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 7.6156 -1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 7.9140 -2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0016 10.1767 -3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 11.4584 -1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 8.6426 -1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 9.9513 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 9.9433 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4783 11.3137 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 12.5991 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 11.1395 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 11.7559 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 10.3712 3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7687 9.4996 2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 10.0862 3.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 8.3726 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 6.2619 3.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 5.8752 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4274 7.3809 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 4.9483 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 5.3363 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4095 7.8159 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 7.7621 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 6.1077 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 7.4442 -2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 6.1725 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 5.4261 -3.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 2.2270 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 1.1400 -2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 0.5462 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -0.8795 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6834 -1.6685 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -2.3251 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -3.2821 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -2.5814 -1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 -3.5707 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5079 -5.0747 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -4.1338 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -4.5974 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 -5.5012 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -6.8788 -1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -6.1696 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 -8.5391 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7557 -8.0672 -0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2896 -6.9312 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -8.1530 3.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 -10.3361 2.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -9.6049 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -8.8165 4.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -8.3157 3.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4095 -7.6458 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 -8.8390 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6534 -9.4553 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -10.6707 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 -10.4421 -0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4789 -10.8839 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1035 -9.3752 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4796 -8.5878 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7279 -8.0516 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 -6.8309 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 -7.4743 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 1.9714 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 3.0159 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 -0.0590 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 0.6342 3.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 -1.0640 3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 -1.7378 3.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 -1.9135 0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -3.1026 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 -3.5542 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 -3.3242 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 -0.8996 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 -1.4305 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 -3.3080 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 -2.8130 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5331 -0.4522 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4747 -1.2669 -2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -2.8631 -3.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3691 -1.9705 -3.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4717 0.5302 -3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 0.1103 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1922 -0.9346 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1115 -1.3458 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9641 1.0789 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0571 1.4663 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8563 0.1382 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8515 -0.2223 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5497 2.5087 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5416 2.2267 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4113 2.0650 2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0558 0.7001 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3948 2.3926 1.1139 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 2 0 26 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 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 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 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 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 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 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 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M END