HMDB0043681 RDKit 3D TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 152151 0 0 0 0 0 0 0 0999 V2000 2.7690 5.8237 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9692 6.0642 0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 4.7874 1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 4.6883 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 5.8179 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 5.8897 4.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 5.7439 5.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 5.5039 5.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 4.2991 6.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 3.2297 6.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 2.9714 6.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 2.6320 8.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 1.4361 8.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5703 0.5483 7.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 -0.7089 7.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 -1.8755 6.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -2.2184 6.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -2.8420 5.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 -1.6801 4.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -1.8584 3.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 -2.8053 2.5326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2438 -0.9562 2.1332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.0100 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 0.0298 0.1171 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9858 -0.5485 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 -0.6067 1.5698 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 0.4484 2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 1.6165 1.9825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 0.3577 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0836 -1.1247 4.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -1.2906 5.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -2.7127 6.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7312 -3.4611 5.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9639 -4.8602 5.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7893 -5.6589 4.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 -6.0802 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 -5.1234 2.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 -5.9684 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -5.0232 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -5.7955 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 -4.8205 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8336 -3.7549 -2.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 0.0635 -1.3124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 1.3424 -1.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 2.3196 -1.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 1.6072 -3.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 3.0838 -3.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 3.5823 -4.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 3.4568 -5.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 4.0613 -6.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 3.5357 -7.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 2.1133 -7.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 2.2178 -8.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 1.7512 -9.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 1.0032 -10.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 0.7005 -10.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 -0.4807 -10.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 -1.7451 -10.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 -2.4733 -9.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -2.7802 -8.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -2.4276 -8.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 -1.5408 -7.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 5.6257 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 6.6163 -1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 4.8815 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 6.2587 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 6.9329 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 3.8735 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 3.6661 2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 6.8156 2.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 5.7385 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 6.0792 4.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 5.8670 6.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 5.8220 4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6898 6.3794 6.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 4.2855 6.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8839 2.3758 7.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8263 1.9958 6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 3.6779 6.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 3.2638 8.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 1.1281 9.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4497 0.1921 7.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 1.0114 6.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 -0.6467 7.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -2.7571 7.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 -1.4357 6.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -3.0354 7.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 -3.1557 5.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 -3.6871 5.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 -0.7549 4.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.4234 4.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 -2.0036 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.8942 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 0.9942 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -1.5276 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6693 0.1082 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 0.7943 4.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 0.8200 3.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 -1.4470 3.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -1.7156 3.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 -0.7680 5.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 -0.8368 6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -2.6465 7.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 -3.2736 6.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3872 -3.3097 4.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 -2.8579 5.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0206 -5.3627 5.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5322 -4.7612 6.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7966 -5.1510 4.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -6.6170 5.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4518 -6.8728 3.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0661 -6.7037 2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7034 -4.8195 2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3635 -4.3193 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6397 -6.7319 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -6.4075 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4193 -4.1494 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -4.6444 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 -6.2734 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 -6.5468 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -5.3626 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -4.3239 -1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -3.3439 -3.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -2.9574 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8377 -4.2105 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 1.3846 -3.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 1.0406 -3.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 3.6660 -2.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2102 3.3248 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 4.6548 -4.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 3.0335 -5.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 2.4354 -5.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 4.1426 -4.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 5.1235 -6.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 4.1153 -8.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 1.4602 -8.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 1.7990 -6.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 2.7717 -7.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1559 1.9510 -9.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 0.0963 -10.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 1.5743 -11.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 1.5545 -10.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -0.5435 -10.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -2.3324 -11.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 -1.5447 -10.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -2.7672 -9.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 -3.3416 -7.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 -1.8561 -9.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 -3.3541 -8.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8173 -1.4479 -7.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 -0.5127 -7.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 -1.8824 -6.7040 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 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 2 0 27 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 24 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 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 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 42125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 60147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 M END