HMDB0049877 RDKit 3D TG(18:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 2.0420 -6.2806 -5.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 -6.2968 -4.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 -7.0360 -3.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -6.5283 -2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 -5.1303 -2.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -5.1427 -2.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 -4.5587 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 -3.9056 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 -2.4514 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -1.7651 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 -2.3722 2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -1.7661 3.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -2.4669 3.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -3.9278 3.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 -4.5276 3.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 -5.1850 3.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -5.3755 5.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 -4.7026 5.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -3.3172 5.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -2.4469 5.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -2.7533 6.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5081 -1.3351 4.4706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5452 -0.4206 4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 0.5257 3.2133 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8762 -0.5069 2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 -0.2618 0.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 0.0575 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 1.0925 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.6063 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 0.1333 -2.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 -0.6939 -3.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4117 -1.0761 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 0.0224 -3.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 -0.5869 -3.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 0.4418 -3.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7646 1.5599 -2.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6702 1.7773 -2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8882 1.0154 -1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 0.5421 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6754 1.7084 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5064 1.3159 2.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 2.6461 2.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3102 2.5205 4.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9901 1.8456 4.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 2.6754 4.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 1.3457 3.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 2.7149 3.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 3.1827 3.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 3.6761 3.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 3.1196 2.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 4.0697 2.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 3.6748 2.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 3.5819 1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 2.8568 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 3.1718 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 2.2944 -1.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 2.8125 -3.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 4.2339 -3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 4.7026 -4.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 3.9984 -5.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 4.4504 -6.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9427 4.1753 -5.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 4.6604 -6.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 -6.3527 -4.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -5.3703 -5.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 -7.1710 -5.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -5.2919 -4.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -6.9375 -5.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 -8.0930 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4579 -7.1740 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8381 -4.6462 -3.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -4.5159 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9727 -5.6097 -2.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 -4.5815 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8565 -4.3734 0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -4.0855 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 -1.9114 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3826 -0.6826 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3993 -3.4215 2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 -1.9426 2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 -0.6735 3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -1.8777 4.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0206 -4.3438 3.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -4.3319 4.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 -4.3957 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 -5.6320 3.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -6.4346 5.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -4.7796 5.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5443 -4.7733 6.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 -5.2317 5.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -3.3929 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 -2.8205 5.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 0.1175 5.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.9403 4.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 0.9854 2.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 -1.2658 2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 -1.1070 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 -1.6359 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 -0.8575 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 0.2770 -2.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 1.1140 -2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 -0.0855 -4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3758 -1.6150 -3.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -1.6869 -4.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 -1.7885 -3.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 0.6205 -3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 0.6718 -4.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 -1.2087 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 -1.2771 -4.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8395 0.8708 -4.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8671 -0.0613 -3.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8736 2.2373 -3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 2.6634 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8077 1.6391 -1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0606 0.1236 -2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -0.1381 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -0.0326 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6366 2.2810 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 2.4266 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5436 0.7709 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3854 0.7262 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 3.3397 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4972 3.1027 2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1096 1.9099 4.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2369 3.5362 4.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9103 1.9797 5.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9305 0.8136 4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 2.3921 4.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 3.7529 4.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7762 2.4248 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 4.6817 3.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 3.8574 4.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 2.7223 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4176 2.2197 3.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 5.1145 2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 4.2905 4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 2.6383 2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 4.2984 2.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 3.2647 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 4.6995 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 2.8420 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5616 1.7359 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 2.8476 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1169 4.2273 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 1.2004 -1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 2.0807 -4.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 4.9417 -2.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 4.3782 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8105 5.7897 -4.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 4.5376 -3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 2.8955 -5.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 4.1978 -6.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 5.5387 -6.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 3.9451 -7.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 3.0806 -5.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 4.7646 -4.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 3.9573 -6.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 4.6694 -7.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4183 5.6515 -5.8703 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 2 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 24 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 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 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 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END