HMDB0053022 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -3.1681 -4.7150 2.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -3.3652 3.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 -2.7145 2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -2.3830 2.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 -2.6186 3.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -1.6473 4.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -0.3690 4.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 0.3903 3.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 1.3437 4.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 2.6414 3.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1649 3.2839 3.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 4.0318 2.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6628 5.3067 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 6.1498 2.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 6.8359 1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 7.7034 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 8.4105 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 7.5070 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 6.5361 -1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 5.7241 -2.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 5.9529 -2.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 4.6711 -3.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 3.8513 -4.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 2.8127 -4.9754 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1596 3.5119 -5.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8616 2.5268 -5.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1361 2.9492 -5.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 4.1761 -6.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 2.0255 -6.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0406 1.8775 -4.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 0.9932 -5.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 0.9532 -3.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0192 0.3461 -2.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3483 -0.7442 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6693 -1.4344 -2.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4024 -1.4478 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8306 -2.5135 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6456 -3.9043 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8848 -4.7343 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7374 -5.3546 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 -5.3286 -1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8602 -6.6069 -2.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1322 -7.7460 -1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5978 -8.4659 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 -9.6640 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 2.0211 -3.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 0.6623 -3.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7734 0.2035 -4.9097 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -0.2597 -2.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 0.2371 -1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 1.0825 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 0.3122 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6877 0.6940 -0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 1.9464 -1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 2.9481 -0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 2.9265 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 1.9639 1.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 1.5895 2.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 0.3912 2.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 -0.8671 1.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1922 -1.4105 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8141 -2.6579 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5655 -2.6183 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 -3.9836 -1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 -4.0776 -2.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 -3.0843 -3.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 -3.1919 -4.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2286 -4.7910 3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 -5.5187 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -4.6876 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 -2.7532 3.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -3.5658 4.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -2.4855 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 -1.9384 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 -3.3413 3.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -3.4221 4.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -2.0686 5.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 0.2627 5.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8723 0.9954 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5323 -0.1672 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 0.9147 4.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 3.2758 4.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 3.8913 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 2.5787 2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 3.4182 1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3541 5.7943 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3418 7.0252 3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 5.7532 3.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 7.3929 2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 5.9942 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 8.4896 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 7.1442 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 9.1365 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 8.9439 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 7.0001 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6533 8.1856 -1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 5.8284 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 7.0869 -2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 4.4421 -5.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 3.3376 -3.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 2.1389 -5.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 3.9835 -6.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 4.2120 -4.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9577 2.4051 -6.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 1.0301 -6.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4016 2.8916 -4.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 1.5072 -4.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 1.4464 -5.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0235 -0.0464 -5.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 0.5081 -3.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0905 2.0606 -3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0181 0.7462 -2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6446 -1.1755 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 -1.0855 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3795 -2.4886 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 -0.4611 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3710 -2.4307 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7289 -4.3414 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3657 -4.0038 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3232 -4.8340 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 -5.8825 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6028 -4.6465 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -4.8295 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3919 -6.3740 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8801 -7.0040 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0279 -7.4350 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -8.5431 -2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 -8.9417 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6672 -7.8853 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 -9.3635 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 -9.9771 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 -10.4360 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -0.9168 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 -1.0066 -3.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 -0.6581 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 0.8009 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 2.0796 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 1.2769 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 -0.6577 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5352 0.0210 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5982 1.6881 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 2.4240 -1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0495 3.8941 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7842 3.8683 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5856 2.4741 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 1.0995 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 2.4632 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9234 0.2602 2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 -1.5646 2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -0.7547 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -0.6155 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1769 -1.5742 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 -3.5049 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6404 -2.9764 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6402 -1.8897 -1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -2.4157 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -4.7809 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 -4.2489 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -5.0934 -2.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -3.8200 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -3.3160 -4.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 -2.0392 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -3.0717 -3.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 -4.1271 -4.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -2.3782 -5.1282 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 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 2 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 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 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 56144 1 0 57145 1 0 57146 1 0 58147 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 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END