HMDB0049305 RDKit 3D TG(18:1(11Z)/20:1(11Z)/20:1(11Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -3.7128 0.9833 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3639 1.5546 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 0.9062 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 1.3964 -1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 1.2067 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 1.7485 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 1.0497 -2.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 0.3582 -2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 0.1578 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -1.3340 -1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 -1.5406 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -3.0049 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -3.5286 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4109 -2.7896 2.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6204 -2.9625 2.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 -2.3926 4.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 -0.9742 4.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -0.2355 4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -0.1365 5.2589 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 0.4268 3.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 1.1401 3.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 0.4972 3.4168 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2152 1.6199 3.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 1.2339 4.3549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 2.1969 4.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 3.2808 3.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1842 1.9326 5.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3624 2.7667 4.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 4.2401 4.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 4.9910 4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1478 4.7151 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4095 5.5664 3.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1081 7.0395 3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 7.3992 1.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0454 8.8931 1.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 9.4555 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 9.9273 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 9.9664 1.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 9.2844 1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 7.8528 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5909 7.4850 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 5.9794 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2313 5.7987 -1.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 4.3822 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 4.4108 -3.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -0.4876 2.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 -1.7910 2.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 -2.3232 3.8691 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 -2.5680 1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8834 -3.0547 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2464 -3.7695 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -4.2498 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 -4.8495 -2.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 -6.0558 -2.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -7.1088 -1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -8.3659 -1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 -9.1546 -2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -8.5054 -3.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -8.2952 -4.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -8.6780 -5.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 -7.4591 -6.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -6.7797 -6.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 -5.6339 -7.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 -4.3861 -7.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 -4.4883 -6.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 -3.1365 -6.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 -2.0999 -7.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 0.8707 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9176 -0.0049 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 1.6530 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 2.6421 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6187 1.3770 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 1.1102 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 -0.1948 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 2.4558 -1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 0.8285 -2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3764 1.8385 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 0.1551 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 1.7769 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 2.8265 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 1.1306 -3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -0.1159 -3.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 0.7303 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 0.4467 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 -1.8767 -2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 -1.7701 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 -0.8642 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5487 -1.2620 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -3.5435 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -3.2515 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 -3.4748 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -4.5808 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -3.2530 2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -1.7386 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 -2.5387 2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8871 -4.0661 2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -3.0247 4.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 -2.7480 4.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3218 -0.4403 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -0.7825 5.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 2.0642 3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 1.6498 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 0.0409 4.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 2.3893 4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 2.0300 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9487 2.1158 6.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 0.8387 5.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7858 2.4780 3.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1888 2.4709 5.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9603 4.4615 5.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 4.6800 4.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 4.9052 5.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 6.0798 4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5145 3.6538 3.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 4.8406 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0282 5.3971 4.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9983 5.2190 2.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0761 7.5852 3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 7.3894 4.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9755 7.1717 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 6.7666 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 9.3691 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5021 8.9929 2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0856 9.4835 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 10.3390 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 11.0728 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 9.7226 2.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 9.4191 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 9.8362 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 7.5720 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2853 7.1830 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 7.9784 -0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6419 7.7277 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 5.6813 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 5.3793 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 6.4060 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 6.1452 -1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 3.6963 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 4.0372 -2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3656 4.6775 -4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 5.2301 -3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5752 3.4629 -3.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9967 -2.0349 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -3.4865 2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 -2.2301 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5772 -3.7702 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4171 -3.0522 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -4.6042 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 -3.3493 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0607 -4.8867 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 -5.1614 -3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 -4.0819 -3.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9842 -5.6448 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 -6.2787 -3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -7.3401 -2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -6.7216 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -8.0879 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -8.9857 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 -9.5783 -3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -10.1261 -2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -8.1592 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -7.7993 -5.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -9.3961 -5.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 -9.1818 -6.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 -6.8824 -5.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 -7.8565 -6.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -7.5789 -7.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -6.5748 -6.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -5.3894 -8.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1515 -5.9778 -8.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 -3.6682 -8.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6685 -3.8210 -6.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 -5.2517 -5.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 -4.7196 -7.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 -2.7994 -5.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9204 -3.3084 -5.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -1.5939 -7.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 -1.3627 -7.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -2.5884 -8.2961 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 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 22 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 1 0 57 58 1 0 58 59 2 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 0 21102 1 0 22103 1 1 23104 1 0 23105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 45142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 67179 1 0 M END