HMDB0055320 RDKit 3D TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -7.9557 5.2068 -2.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7583 4.3251 -2.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5868 5.1755 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9445 5.2470 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 4.4871 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 3.6581 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1699 2.3568 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3629 1.5249 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6277 0.7517 1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5932 -0.5425 1.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -1.2979 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -2.1356 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5193 -3.4198 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -4.3627 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -4.0440 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 -4.2835 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 -4.9191 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1966 -6.1874 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1798 -6.8522 -2.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -8.1177 -2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -7.8604 -2.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 -7.0073 -3.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -7.5927 -4.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 -5.6312 -3.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -4.9450 -4.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4672 -3.4576 -4.1841 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9798 -2.8354 -2.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -3.2324 -1.7519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 -2.5507 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 -1.6235 -0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 -2.9081 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -1.7308 1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 -2.2521 2.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 -1.2477 3.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -0.2444 4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 0.6299 5.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 1.7428 5.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 2.5869 4.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 2.8647 4.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 2.3362 5.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 1.5454 4.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.3555 4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -0.6038 5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5629 -0.3138 6.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 -1.0019 7.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -2.1679 6.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -3.4118 7.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 -3.0207 -4.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -2.2225 -5.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -1.9134 -6.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5959 -1.7041 -5.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 -2.0547 -4.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2915 -1.5650 -3.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 -0.0317 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 0.2407 -1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 0.8290 -1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 1.3071 -2.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 2.7498 -2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 3.3184 -1.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 2.5285 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 3.1572 -2.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 3.6483 -1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 3.5968 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 2.7800 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4781 3.2741 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6508 4.6070 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9558 4.5548 2.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9152 4.6980 -2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9416 5.3922 -3.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9449 6.1445 -2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5763 3.6116 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 3.7020 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2413 5.7803 -3.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0695 5.9188 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3429 5.3549 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2358 4.0190 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 4.1846 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2025 1.8630 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 1.0418 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2576 2.2456 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 1.3368 2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 -1.1344 2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0228 -0.6557 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 -1.7989 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -1.5712 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5507 -3.8829 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4236 -5.1319 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8871 -5.0595 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -3.6022 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -4.0009 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -5.1613 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -4.2323 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -5.9421 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6529 -6.8321 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -6.1664 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 -7.1698 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -8.8626 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -8.5323 -3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -8.8693 -2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2069 -7.4507 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 -5.3219 -5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 -5.2573 -4.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0416 -3.0417 -5.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 -3.0990 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -1.7227 -3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -3.6115 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 -3.5245 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 -0.9620 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -1.2641 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 -2.9635 3.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 -2.8789 2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 -0.6826 3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3949 -1.8090 4.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 0.4360 3.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 -0.6099 4.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 -0.0496 6.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 1.0267 4.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 1.2553 6.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 2.3229 6.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 3.0468 4.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 3.5344 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 3.1946 5.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 1.8319 6.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 2.1068 3.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8811 -0.0042 3.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -1.5787 5.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2985 -0.9352 5.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9526 0.5203 7.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -0.6328 8.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -1.9538 6.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 -2.3633 5.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -4.2643 6.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 -3.2912 8.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 -3.5724 7.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -2.1004 -6.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -0.5956 -5.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5931 -1.6791 -5.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 -3.1500 -4.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -2.0536 -2.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1444 -1.8314 -2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.2366 -3.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 0.3791 -3.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5323 -0.0478 -0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5313 1.0140 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 0.6951 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 1.1140 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 3.3485 -2.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 4.4208 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 2.3765 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7456 1.4780 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 3.1854 -3.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6979 4.1097 -2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 4.6884 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3899 3.3308 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 1.7403 -0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 2.5856 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6120 5.0315 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 5.3620 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7784 5.2375 2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2734 3.5361 2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 4.8684 2.9864 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 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 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 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 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 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 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 65156 1 0 66157 1 0 66158 1 0 67159 1 0 67160 1 0 67161 1 0 M END