HMDB0044905 RDKit 3D TG(18:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 157156 0 0 0 0 0 0 0 0999 V2000 6.4956 -2.0947 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5289 -3.3623 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1763 -4.4689 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 -5.2386 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -5.0156 -1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3711 -6.1953 -2.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 -7.0247 -2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 -7.0094 -2.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -6.8524 -3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 -6.5304 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 -6.2154 -5.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -4.8693 -5.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 -3.8690 -5.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -3.7184 -4.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 -2.7305 -3.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 -1.3062 -4.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4756 -0.7410 -4.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 -0.7653 -3.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 -0.2908 -3.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 -1.2576 -1.7627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 -1.0975 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 -1.5588 0.6281 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1251 -0.5896 1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.6527 1.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 1.8816 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9229 1.9797 2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 3.0215 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 3.9157 0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 5.0113 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 4.3292 -1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 3.5387 -1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 4.4897 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 3.6478 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 4.5341 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8284 5.2175 -1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 6.0970 -1.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8454 7.2796 -0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 8.1917 -1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 9.4299 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 10.3082 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2001 11.5712 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 11.5482 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 10.9896 2.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -2.8591 0.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -3.6821 1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -3.1587 1.3447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -5.0996 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -5.9142 1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5695 -5.5753 2.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -6.5062 2.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -6.5727 1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -5.4453 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7621 -4.1473 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7543 -3.1212 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -1.9925 1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3344 -1.5504 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -0.2588 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 0.0946 3.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8746 0.2771 4.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 0.6370 5.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 1.9122 5.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7893 -2.2390 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 -1.2139 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 -1.8714 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0965 -3.2456 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -3.4822 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 -4.6296 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8943 -6.0792 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 -4.9591 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 -4.0536 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -6.3677 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 -7.8822 -3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 -6.3554 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -8.0441 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 -7.0374 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0993 -6.5877 -4.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 -6.8959 -6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -6.5247 -4.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -4.7151 -6.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 -2.9598 -6.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -4.6228 -4.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -3.3026 -5.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -3.0012 -2.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 -2.8837 -3.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -0.9088 -4.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -0.7532 -3.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 0.3979 -4.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.9820 -5.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -1.7006 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -0.0577 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.2047 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -0.6848 2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 -0.8067 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 3.5913 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 2.6056 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 4.4580 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 3.4114 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 5.6233 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 5.5618 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 3.8015 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 5.1772 -2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 3.0104 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 2.7731 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 5.0314 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 5.1664 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 3.1041 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 2.9062 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 3.9345 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 5.3634 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 4.3899 -2.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 5.7287 -2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 5.4777 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4133 6.4574 -2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 7.8738 -0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6945 6.9822 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 8.5694 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 7.6535 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5025 9.9980 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 9.0330 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 10.5759 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5784 9.7013 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 12.1489 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 12.2644 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 12.6038 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 10.9556 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 11.5952 3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 9.9834 2.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 10.9705 1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -5.0957 2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -5.6475 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -5.9843 0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 -6.9816 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 -4.5484 3.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 -5.8947 3.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 -6.3091 3.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3545 -7.5652 3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -6.9006 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2551 -7.5117 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 -5.7601 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 -5.2763 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -3.7670 1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -4.3568 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 -3.3627 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 -1.3203 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 -2.3019 2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -1.2967 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -0.3728 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 0.5373 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 -0.7754 3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 0.9517 3.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6195 1.0399 4.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 -0.6869 4.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 0.8090 6.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 -0.2269 6.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 2.6159 4.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 1.7347 5.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 2.4746 6.6910 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 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 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END