HMDB0296315 RDKit 3D DG(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 -16.9773 1.4177 2.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4635 0.1596 1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1741 0.4215 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3741 1.4371 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0602 1.6806 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0083 2.1748 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8432 1.6816 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2548 0.4495 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9722 -0.4344 -1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6187 -0.7395 -2.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3915 -0.1773 -3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5249 -1.3206 -3.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3268 -1.4819 -3.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6815 -0.5268 -2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3114 -1.1586 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 -2.2195 -0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7076 -0.1379 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4632 -0.6836 1.4074 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4982 0.5239 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3592 -0.3577 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7499 -1.1413 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -1.9970 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 -3.1291 -0.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 -1.5808 -0.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 -2.4857 -0.5933 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2463 -1.8034 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 -1.6224 -2.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -2.6456 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 -1.4160 0.5851 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4778 -1.4006 1.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -2.4864 2.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2716 -0.1642 1.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 0.7409 0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 0.1989 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 -0.1877 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 0.8571 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 1.6033 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1425 0.6562 1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 1.2627 2.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5591 2.3238 2.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 2.3234 2.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6762 2.2632 1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4074 1.0787 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 0.8562 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6548 0.4723 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6118 1.2917 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0439 0.6958 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0272 -0.6766 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4279 -1.2892 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3709 -0.4375 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2431 2.2449 1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1721 1.2716 3.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9570 1.6494 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2523 -0.5680 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1799 -0.2890 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9097 -0.5474 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4026 0.7918 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1409 1.0209 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7678 2.4022 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8537 0.9168 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3369 2.5936 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2282 3.1567 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2038 2.2721 0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0472 -0.1674 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1849 0.6164 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9041 -0.9515 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2557 -1.4420 -3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6798 0.2809 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9266 0.6393 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9363 -2.0802 -4.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7593 -2.3968 -3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1316 0.4485 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6648 -0.3191 -2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2398 -1.5331 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3892 -2.5625 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4672 0.6816 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0079 -0.2842 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7324 1.2362 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 1.2205 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 -1.0425 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 0.3218 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4857 -1.7708 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3052 -0.4740 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 -3.4182 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 -2.3741 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 -0.7690 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -1.0612 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -3.4247 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4338 -3.0263 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -0.4186 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.3662 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 0.8791 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 1.7916 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 0.9962 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -0.6849 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3942 -1.0216 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -0.7200 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 0.4056 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 1.6332 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 2.3828 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6921 2.1477 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8212 -0.0183 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2969 -0.0598 1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 0.3746 3.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6379 1.4935 3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5073 2.5667 3.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1124 3.3447 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3854 3.3036 2.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4748 1.5783 3.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3713 3.2235 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7685 2.5309 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2355 0.1560 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3420 1.3291 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1269 1.7256 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7603 -0.0215 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0917 0.2847 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6347 -0.5951 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5980 2.3458 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4361 1.2364 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6594 1.3813 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3293 0.7331 -1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6473 -0.6645 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -1.3614 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7377 -1.4462 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3107 -2.2711 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9930 0.2399 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7766 0.0946 2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1052 -1.1424 1.8530 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 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END