HMDB0055076 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/O-18:0) 184183 0 0 0 0 0 0 0 0999 V2000 -8.0233 -5.7999 2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0067 -5.5886 3.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6611 -5.6989 4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 -4.7176 3.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1013 -3.2659 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2967 -3.0153 5.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6246 -2.1182 5.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5962 -1.2653 5.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0394 0.1345 5.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 1.0445 6.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0256 0.7469 6.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 1.0243 8.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 1.8681 8.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1048 2.6225 7.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 2.2964 8.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 1.7176 7.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0446 1.2925 6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 1.9197 5.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6267 2.6354 4.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 2.8881 4.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 4.3984 3.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 4.9672 2.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7852 6.2072 2.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 4.2091 2.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 4.3364 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 5.0651 1.1917 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4525 6.4851 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 6.6133 -0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 6.5830 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 6.3993 -2.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 4.9751 -2.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 4.0018 -2.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 2.5438 -2.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 1.7037 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 0.2718 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.3528 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -1.8468 -3.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.6135 -4.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -4.0879 -4.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 -4.9970 -5.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -4.8138 -5.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1767 -5.1120 -4.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 -4.9213 -4.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 -5.2249 -3.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -4.9690 -3.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -5.2473 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 4.4787 2.2484 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 3.4844 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4898 3.1559 0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 2.7733 3.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0067 1.2768 2.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 0.8237 2.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 -0.5905 2.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 -0.8075 2.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 -2.1951 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9085 -2.2940 2.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 -1.4607 1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 -1.8367 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 -0.9805 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 -1.4384 -2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 -0.6429 -3.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 0.0740 -4.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 0.1439 -4.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.3811 -6.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 0.3438 -7.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 1.7276 -7.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2665 2.6445 -7.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 4.0655 -7.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 5.0193 -8.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 6.4039 -8.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0490 -6.1765 1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2651 -6.5219 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9131 -4.8231 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4597 -4.6191 3.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6547 -6.3921 3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7754 -5.7018 5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2762 -6.7296 3.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6927 -4.8267 4.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4871 -4.9334 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0993 -3.2108 3.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3923 -2.6677 3.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0633 -3.6467 5.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 -1.9752 7.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 -1.5199 5.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4094 -1.4352 4.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0312 0.3497 5.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7519 2.0821 6.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 1.5098 6.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 -0.2033 6.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6873 0.5501 8.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 2.0410 9.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 3.7312 8.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 2.6423 6.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 2.5624 9.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 1.5089 8.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 0.1570 6.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 1.2675 6.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 1.7653 5.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 3.0402 3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 2.5191 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5316 2.3415 4.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 4.5688 3.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 4.8767 4.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 4.8494 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5483 3.3105 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 4.6846 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 7.0799 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 7.0001 0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 6.0089 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 7.6669 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 7.0698 -2.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8599 6.5835 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 4.7562 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 4.9635 -3.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 4.0999 -3.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 4.1594 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 2.2570 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 2.3444 -3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 2.0166 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 2.0469 -3.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 -0.3108 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 -0.0266 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 0.1108 -3.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -0.1435 -4.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 -2.2747 -3.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -1.9948 -2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -2.2667 -4.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -2.5102 -5.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -4.2942 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 -4.3281 -4.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 -6.0486 -4.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 -4.9421 -6.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -5.5539 -6.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7028 -3.7984 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -6.1639 -3.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -4.4237 -3.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 -3.8850 -4.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -5.6074 -5.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 -6.3510 -3.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.7462 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7722 -3.9222 -4.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8745 -5.6282 -4.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -5.0386 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 -6.3110 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4777 -4.6275 -2.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 3.0335 3.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 2.8566 4.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5742 0.7409 3.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 1.1911 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 0.9753 3.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 1.5510 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 -1.3258 2.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -0.7047 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 -0.1032 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -0.5169 3.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 -2.3936 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 -2.8868 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 -2.1648 3.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -3.3918 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.6647 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.3683 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1908 -2.9047 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 -1.6366 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 -1.1766 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.0819 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -2.4786 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 -1.5878 -2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -0.6729 -2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3887 0.6210 -4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 -0.5349 -4.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 1.1909 -4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 -1.3928 -6.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -0.1027 -8.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6474 1.8151 -7.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 2.1533 -6.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 2.3484 -8.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 2.5938 -7.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 4.4125 -6.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 4.0394 -8.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6348 5.1129 -8.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 4.7524 -9.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 6.7455 -7.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 6.3303 -8.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 7.1476 -9.0354 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 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 1 0 57 58 1 0 58 59 1 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 67 68 1 0 68 69 1 0 69 70 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 3 77 1 0 4 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 25104 1 0 25105 1 0 26106 1 6 27107 1 0 27108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 43137 1 0 43138 1 0 44139 1 0 44140 1 0 45141 1 0 45142 1 0 46143 1 0 46144 1 0 46145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 54154 1 0 54155 1 0 55156 1 0 55157 1 0 56158 1 0 56159 1 0 57160 1 0 57161 1 0 58162 1 0 58163 1 0 59164 1 0 59165 1 0 60166 1 0 60167 1 0 61168 1 0 62169 1 0 63170 1 0 63171 1 0 64172 1 0 65173 1 0 66174 1 0 66175 1 0 67176 1 0 67177 1 0 68178 1 0 68179 1 0 69180 1 0 69181 1 0 70182 1 0 70183 1 0 70184 1 0 M END