HMDB0042660 RDKit 3D TG(14:0/20:4(5Z,8Z,11Z,14Z)/O-18:0) 160159 0 0 0 0 0 0 0 0999 V2000 4.6497 6.4142 -2.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 5.7937 -1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4286 5.3820 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 4.7836 1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 4.3206 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3657 3.7749 3.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 2.5650 3.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 1.5299 3.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 1.1058 4.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 -0.0808 5.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 -1.2101 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6817 -2.4220 4.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 -3.0057 3.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 -2.6065 1.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -2.5750 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8082 -1.6047 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 -0.2707 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 0.7997 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 0.8673 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 2.0016 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 2.7131 0.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 2.3162 -1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 3.4392 -0.7410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9584 3.0691 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6768 4.1692 -0.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 4.7107 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 3.6811 2.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 3.4229 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3882 2.3232 3.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 2.4710 4.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3418 1.3390 5.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 -0.0026 4.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 -0.3607 4.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -1.7405 3.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2462 -2.8148 4.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3271 -4.1103 4.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0399 -4.5730 3.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 -4.7608 4.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 -5.2377 3.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -4.4681 2.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -4.1085 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9736 -5.3751 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -4.9115 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 4.4917 -1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 4.1945 -3.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 4.0999 -3.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 4.3675 -2.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 3.7333 -5.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 2.5030 -5.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 2.2010 -6.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 1.0862 -7.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 1.0775 -8.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 1.2312 -7.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 1.1005 -7.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.2142 -8.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -1.3884 -7.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -1.2885 -6.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 -2.4305 -5.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.7408 -4.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -3.1323 -5.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 5.8033 -3.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 6.6404 -2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 7.3771 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9587 4.9023 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 6.5132 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 4.7026 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9594 6.3244 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 3.9724 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9741 5.5738 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 3.6721 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9652 5.2767 2.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1354 4.5044 3.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 2.2995 4.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 0.6903 2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6603 1.9843 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 1.8736 5.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 -0.2403 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 -1.5073 5.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 -0.8758 3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 -2.8488 5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9908 -3.9449 3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -1.7255 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -3.4440 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 -3.5692 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 -1.8092 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -0.0378 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2703 -0.1763 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 0.6558 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 1.7817 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -0.0503 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 1.0504 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 3.8648 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 2.3518 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 2.5618 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 5.5893 1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 5.0502 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9568 2.7820 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2722 4.2627 3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3877 3.1381 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 4.3744 2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4977 2.2455 3.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0794 1.3631 2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7383 2.5471 4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2566 3.3963 5.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8776 1.4614 6.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4258 1.4978 5.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8105 -0.1542 4.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -0.7361 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 0.3275 3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 -0.4128 5.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -1.9384 3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -1.7095 3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 -2.8808 5.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3121 -2.5642 5.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6662 -4.9260 4.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1194 -4.0369 3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8489 -3.9064 2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 -5.5809 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 -5.5301 5.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 -3.8327 4.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 -6.2750 3.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 -5.4917 4.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 -3.4945 3.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -5.0635 2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 -3.3153 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2964 -3.6438 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -5.9807 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 -5.9595 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 -4.5445 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -4.0617 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 -5.6606 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 4.6547 -1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 5.4797 -1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 4.5290 -5.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 3.4213 -5.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3647 2.6474 -5.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 1.6344 -4.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8055 3.1322 -7.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 2.1090 -6.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 0.8679 -8.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 0.0926 -7.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 1.9058 -9.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 0.1089 -8.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 0.6081 -6.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 2.3385 -6.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 1.3781 -7.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 1.8700 -8.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 -0.2184 -8.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -0.4445 -9.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -2.3044 -8.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 -1.4480 -7.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -0.2945 -6.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 -1.2836 -7.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 -2.3319 -4.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 -3.4012 -6.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -1.9223 -4.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -3.5943 -4.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -3.6197 -6.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 -3.9689 -4.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -2.3500 -5.4966 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 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 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 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 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 1 24 93 1 0 24 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 60160 1 0 M END