HMDB0010521 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:3(9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -4.8420 -3.5334 2.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 -3.1472 3.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5781 -4.2172 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 -4.8738 4.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 -4.6561 4.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 -5.9548 3.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 -6.6591 3.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2238 -6.3304 4.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5185 -6.3243 3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -5.3455 3.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -4.0006 4.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -3.0088 3.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2877 -1.5985 3.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -1.1112 4.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 -1.1302 2.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 -0.5886 3.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 -0.5317 2.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -0.0060 2.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 0.1818 3.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 0.2968 1.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8896 0.7965 2.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 1.1412 1.2570 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0880 -0.1132 0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 -0.6707 0.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7282 -1.8154 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7765 -2.4069 -1.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4386 -2.4077 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 -1.7654 -2.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -1.8179 -3.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 -3.1709 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7683 -3.6896 -5.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -2.9652 -6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 -3.7333 -6.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -3.2701 -6.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2397 -1.9393 -5.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -1.1342 -6.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7521 -0.6783 -6.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -0.9213 -5.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 0.3708 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.7297 -3.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 -0.0898 -2.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -0.3129 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 -1.0249 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 -2.4091 -1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -3.0588 -1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1712 2.1200 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4258 3.4309 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4451 3.8860 1.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 4.3956 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 3.8793 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 3.1738 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 2.6639 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 3.5815 -2.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 4.6622 -1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 5.7723 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 6.7561 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 6.1046 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 7.0416 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 6.1937 2.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2563 6.9463 3.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 7.5049 2.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 6.4483 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 5.4468 2.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5378 4.4443 1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2014 3.3920 2.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5915 -4.1220 3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4627 -4.1171 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -2.6256 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 -2.2501 4.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 -2.8324 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 -4.4688 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -5.6774 5.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -4.3881 4.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 -3.9213 3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 -6.2764 2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 -7.5986 2.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -7.2024 5.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 -5.4212 5.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -7.2842 3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2996 -5.4787 3.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 -3.8193 4.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -3.8035 5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 -3.2432 2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 -3.1975 2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 -0.9346 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 -1.4328 4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -0.0718 4.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5526 -1.7633 4.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -0.5382 2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -2.2064 2.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 -1.2142 4.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 0.4234 3.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 -1.4972 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8328 0.1399 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6516 1.7450 2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 0.0593 3.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7682 1.4829 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5495 -0.8556 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7543 -0.0303 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 -2.2176 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 -3.5117 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -0.7389 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 -2.3537 -2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2836 -1.1568 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6819 -1.3229 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6218 -3.7709 -3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 -4.7310 -5.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7118 -3.0169 -7.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 -1.9181 -5.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -4.7597 -6.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -3.9283 -6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 -1.9600 -4.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1998 -1.3550 -5.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -0.8862 -7.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -0.0805 -7.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0157 -1.6122 -4.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 -1.3143 -5.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 1.1156 -5.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 1.7437 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 -1.0225 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.4923 -2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 0.6615 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 -0.9330 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 -0.4593 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -1.0771 -0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -2.4073 -2.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -3.0608 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -3.8645 -2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 -3.5483 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 -2.2915 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2005 5.2023 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3506 4.9967 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 3.2175 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1693 4.8021 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 3.7464 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0816 2.2663 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 1.9124 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 1.9507 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 2.9871 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 4.0004 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 4.2251 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 5.1056 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 6.4363 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 5.5936 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 7.6848 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 7.0312 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 5.2402 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 5.7352 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 7.9326 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 7.3235 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 5.9438 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 5.2415 2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 6.3752 4.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 7.8334 3.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 8.2397 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 8.0299 3.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5855 5.9296 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9895 6.9861 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 4.8568 3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4146 5.8751 3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2844 4.9286 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8067 3.9388 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6488 2.4283 2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 3.7455 3.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2333 3.2272 2.2524 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 1 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 2 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 22 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 1 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 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 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 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 21 95 1 0 21 96 1 0 22 97 1 1 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 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 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END