HMDB0044545 RDKit 3D TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3n6) 165164 0 0 0 0 0 0 0 0999 V2000 -5.3542 5.2715 -3.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 3.8500 -3.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2809 4.0168 -2.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7418 3.5844 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9573 2.8407 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 1.5518 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1467 0.3787 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7768 0.0233 -0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9468 -0.8505 -2.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 -0.6445 -3.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6297 0.4878 -3.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 0.2954 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 -0.7658 -4.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 -2.1493 -3.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 -3.0328 -5.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7209 -3.1958 -5.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -3.7091 -5.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 -2.9282 -4.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6338 -3.7511 -4.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 -3.0035 -3.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -3.6354 -2.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -1.6333 -2.8753 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1702 -1.0575 -1.9546 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4952 -0.3386 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 -1.1315 -0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -0.5643 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 0.6632 1.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -1.3544 1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 -0.4426 2.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -1.1690 3.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -2.3304 4.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7636 -3.0403 5.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -4.2419 6.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 -4.9436 6.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 -6.1785 6.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 -7.0281 5.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -7.4850 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -7.1444 3.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -6.3249 2.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -7.0997 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -7.3409 1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -6.8543 2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 -7.9474 2.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 -7.2653 3.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3271 -8.3259 4.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -9.1205 3.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0661 -0.0054 -2.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 0.9677 -3.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 2.0954 -3.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 2.2647 -4.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 3.0523 -4.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4142 4.2668 -3.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 4.0084 -2.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 5.3519 -1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 5.1562 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1874 4.4430 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5059 5.0467 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 6.2744 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 7.5772 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 8.5957 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 8.5057 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7553 7.6954 -1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 7.6236 -2.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 6.7864 -2.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 5.3927 -2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1471 5.9140 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 5.6912 -2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 5.2337 -4.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2231 3.4272 -2.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 3.3230 -4.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9906 4.5498 -3.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 3.7657 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1125 3.4441 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8996 2.7618 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7095 1.6100 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8280 -0.4861 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2592 -0.5751 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1913 0.9204 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5677 -1.7732 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7307 -1.4087 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 1.2736 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2135 1.0488 -4.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6988 1.2516 -4.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 -0.6740 -4.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 -2.2826 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1451 -2.5975 -3.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 -4.0810 -4.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -2.6771 -5.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 -3.9048 -6.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5277 -2.2362 -6.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6797 -4.7175 -4.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -4.0918 -6.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1036 -2.5804 -3.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -1.9931 -4.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2483 -4.6510 -3.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 -3.9978 -5.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8652 -1.8046 -1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 0.0394 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9159 0.5206 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7383 -1.8744 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 -2.1619 2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 0.4425 2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 0.0016 3.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.4636 4.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2967 -1.4904 3.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -2.0077 5.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4052 -3.0969 3.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 -2.3283 6.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 -3.2770 4.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 -3.7799 6.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 -4.8283 5.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 -4.3648 7.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0977 -6.5917 7.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -6.6689 5.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 -7.9745 6.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 -8.0996 5.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 -7.5289 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 -5.5306 2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 -5.7385 3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 -7.5060 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4704 -7.9449 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 -6.1594 3.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -6.2845 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -8.6495 3.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 -8.4620 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8945 -6.7887 4.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 -6.5701 3.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -9.0198 4.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1526 -7.7926 4.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -10.0433 2.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 -8.5376 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0306 -9.3811 3.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 0.4588 -1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6904 -0.5695 -3.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 2.5653 -4.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 3.3882 -5.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 4.8422 -4.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 4.9653 -3.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 3.4291 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 3.5137 -2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 5.8877 -2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 5.8916 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 4.5184 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 6.1139 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 3.3642 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 4.3053 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 4.9414 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 4.2383 1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 5.9417 2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6521 6.4311 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 7.6083 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 8.1464 2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 9.5131 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 9.1486 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 8.2308 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 9.5551 -1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7008 8.1956 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 6.6867 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 8.6315 -3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0461 7.1916 -3.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 6.7498 -4.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0544 7.2589 -2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0975 5.1187 -2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8359 5.1954 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3195 4.6561 -3.2703 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 2 0 26 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 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 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 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