HMDB0042608 RDKit 3D TG(14:0/20:3n6/14:1(9Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -0.3111 5.2453 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 5.3814 -1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 5.8191 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 4.8365 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 4.7087 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 3.5798 1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 2.3361 0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 1.2203 1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1922 0.4085 2.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 0.9302 3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 1.3715 2.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 0.1204 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 0.4538 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.8411 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 -1.6177 1.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.2241 -0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -2.4900 -1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 -2.5831 -2.7203 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2968 -1.7596 -3.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -0.3665 -3.3991 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 0.3660 -3.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 -0.1898 -4.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0287 1.8645 -3.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1347 2.3838 -2.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 3.8506 -2.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 4.7970 -3.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 4.9392 -4.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 5.2902 -4.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0968 5.4989 -5.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 4.3565 -6.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 3.1445 -5.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 3.5077 -5.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 2.4413 -4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 1.2541 -5.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 0.4244 -6.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 -2.4134 -2.7933 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 -3.3703 -3.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -4.5350 -3.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3742 -3.0060 -3.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -3.7029 -1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -3.1810 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7494 -3.8039 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 -5.2960 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 -5.8702 1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -5.4861 2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 -4.8249 3.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 -4.3952 4.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 -4.9853 5.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -4.3429 6.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7047 -2.8805 6.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -2.3726 7.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 -1.5356 7.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -0.8829 6.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 -1.0994 6.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 -2.5030 6.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1341 -3.3280 5.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -4.7543 5.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 4.1750 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 5.7350 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 5.7092 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 6.0953 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 4.4108 -2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6866 5.8241 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 6.8464 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9662 5.3065 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4312 3.9253 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6194 5.6355 1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 3.6257 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 2.4106 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7055 1.9600 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 0.4539 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 1.5634 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 -0.4427 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 -0.2754 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 1.7484 3.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 0.1190 3.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 1.6847 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 2.1279 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -0.6335 2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0504 -0.1682 0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 0.7691 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 1.1583 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9654 -2.4207 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -3.3268 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -3.6800 -2.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3559 -2.1190 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -2.0401 -4.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 2.2249 -4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 2.0645 -3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 2.0479 -3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 1.8500 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 4.0748 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 4.1380 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 5.8315 -3.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 4.6577 -4.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 4.1863 -5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7055 5.9159 -5.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 6.1833 -3.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 4.4524 -3.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5344 6.3455 -6.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 5.9303 -5.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 4.0411 -6.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 4.6832 -7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 2.6857 -5.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 2.4253 -6.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 4.3820 -4.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 3.9417 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9244 2.9058 -4.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 2.1003 -3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 0.6137 -5.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 1.5424 -6.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 0.4430 -7.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 -0.6742 -5.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 0.5584 -5.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 -1.9137 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -3.4570 -3.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -4.7833 -2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -3.4577 -1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8316 -3.3029 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4571 -2.0940 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 -3.4747 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -3.3339 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -5.6162 0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 -5.6695 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 -5.6259 2.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 -7.0040 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 -5.7828 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9553 -4.5357 3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9236 -4.6057 4.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 -3.2679 4.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -6.0821 5.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 -4.9301 7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 -2.3138 5.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8019 -2.6147 6.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 -2.7744 8.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 -1.2622 8.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4808 0.2357 6.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 -1.1352 5.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6388 -0.5697 5.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 -0.5716 7.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 -2.9752 7.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7064 -2.5080 6.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -3.3308 5.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 -2.9007 4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -5.2149 4.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -4.8100 6.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -5.3700 6.4639 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 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 18 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 17 83 1 0 17 84 1 0 18 85 1 6 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 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 35114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 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 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M END