HMDB0047654 RDKit 3D TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -0.4442 1.9423 5.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 2.7958 6.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 3.8252 7.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2565 5.0875 7.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 5.7045 6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 6.5470 5.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 6.3552 3.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 5.2373 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 5.7447 2.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 5.4141 1.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 4.5081 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 5.2936 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 4.9376 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 3.7285 -1.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 2.8527 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 2.4646 -3.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 2.8205 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 1.8484 -4.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1357 0.5916 -5.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 -0.3218 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 -1.6829 -5.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 -2.3537 -4.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 -2.8857 -4.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 -2.3727 -3.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -2.8599 -1.9581 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8909 -1.7688 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 -0.9250 -1.5205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 -1.3247 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7097 -2.4847 -1.6348 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -0.3519 -2.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 -1.1547 -2.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 -0.4170 -3.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 0.6815 -2.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3251 1.3597 -3.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8676 1.9929 -4.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9037 3.1608 -4.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6465 4.2080 -3.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3299 4.6823 -2.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 4.3054 -1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 3.7998 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 3.4190 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8224 2.3417 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -3.9976 -1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8476 -5.2517 -2.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 -5.8317 -1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8061 -5.1066 -1.1354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 -7.0671 -2.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 -7.3576 -3.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2058 -6.6438 -4.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6314 -6.3993 -4.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -5.4233 -3.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 -5.0664 -2.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9685 -6.1157 -1.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -6.5963 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -5.4074 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -4.5943 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 -3.3310 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -3.1826 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -3.7377 2.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 -3.1902 3.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 -3.7438 3.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 -3.5071 2.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 -4.0421 2.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 -3.4141 3.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 -1.9449 3.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 -1.3975 4.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 0.0051 4.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 1.0247 4.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 1.1645 5.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 1.3494 6.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 2.5478 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 1.2429 5.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 3.1434 6.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 2.0791 7.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 3.4579 7.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 5.7856 7.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 6.4937 7.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 5.0847 6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3113 7.3767 5.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 7.0435 3.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 4.6599 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 4.5366 4.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 6.4180 3.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 5.8159 1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 3.6723 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 4.0378 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 6.2187 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 5.5396 -2.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6436 4.1169 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1484 3.1265 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 2.5146 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 1.8666 -4.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 3.7723 -4.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 3.1757 -5.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 2.4157 -5.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 1.5677 -4.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 0.7437 -6.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1376 0.0850 -5.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4359 0.0808 -4.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -0.6015 -3.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -2.2331 -5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -1.5475 -6.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -3.2944 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 -1.2508 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.2801 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.4522 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 0.0116 -3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -1.6801 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 -1.9986 -3.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4934 -1.1578 -3.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 -0.0474 -4.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3859 1.3780 -2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5949 0.2815 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 2.0470 -2.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0959 0.5800 -3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7478 2.4965 -5.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 1.3074 -5.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 3.6118 -5.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 2.7626 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5567 4.6263 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0186 5.4818 -1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 3.5474 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 5.2537 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4298 4.5833 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 2.9322 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 3.1118 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1505 4.3225 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 2.5520 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 2.3186 1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 1.3369 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -3.7457 -1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -4.1607 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 -7.4512 -1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 -7.8706 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -8.4626 -3.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -7.5821 -4.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 -5.5969 -4.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 -7.1538 -5.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -7.3395 -3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -6.0193 -5.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 -5.8509 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -4.4892 -3.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2017 -4.1240 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7466 -4.8007 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1807 -6.9816 -2.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9291 -5.6793 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 -7.2615 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -7.1645 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 -4.7741 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4156 -5.9273 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6532 -5.1987 1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6973 -4.2917 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 -2.7503 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -2.6848 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 -2.0593 2.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 -3.5602 3.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3315 -4.8492 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7572 -3.4204 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -2.0967 3.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2035 -3.4781 4.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 -4.8345 4.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -3.2022 4.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1384 -4.0672 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -2.4312 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -3.9665 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 -5.1315 3.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 -3.9387 3.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -3.4719 4.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 -1.4223 3.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -1.9064 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -1.4659 5.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0012 -2.0343 4.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2555 0.0539 3.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 0.2986 5.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.7714 3.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 2.0028 3.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 1.5040 4.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 0.1917 5.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0031 1.8991 6.0584 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 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 25 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 1 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 6 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END