HMDB0055180 RDKit 3D TG(18:3(9Z,12Z,15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 5.5521 -0.8502 8.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -2.0318 7.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2009 -1.4972 6.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -1.4940 4.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 -2.0627 4.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 -3.1507 3.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -3.0757 2.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -1.8384 2.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -1.2900 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 -1.0708 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -1.3505 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 -0.0048 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 0.0896 -1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 -0.9976 -2.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 -0.6859 -3.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 -0.5709 -4.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.7243 -4.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9549 0.5684 -5.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5762 1.7149 -4.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 3.0422 -4.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 4.1545 -3.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 4.1483 -3.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 3.4552 -2.8866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 4.8111 -4.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 4.7671 -4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 5.3647 -3.4096 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2362 4.8956 -3.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1253 3.4852 -3.7126 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 2.6127 -3.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3432 3.0617 -3.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 1.1279 -3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 0.4188 -4.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3055 -1.0091 -4.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -2.0160 -3.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 -3.3906 -4.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -4.5841 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -4.7369 -3.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5062 -6.0801 -2.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -6.4369 -1.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -5.4339 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -5.6966 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -6.1439 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -6.4532 1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7057 -5.6254 2.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 -6.0361 3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 -7.4670 3.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -7.7918 5.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3635 4.8327 -2.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 5.5871 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7996 6.8265 -1.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 4.9500 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 5.7330 1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 6.0535 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 6.7644 1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 5.8928 3.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 4.4993 2.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8199 3.5880 3.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2479 2.1664 3.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 1.2823 4.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 -0.1566 4.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 -1.0116 3.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 -0.9352 2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -1.3136 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -1.2402 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 0.1287 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 1.0656 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6967 0.4697 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7182 1.4284 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4074 1.4684 1.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5384 -1.2255 9.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 -0.3686 8.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 -0.1268 8.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4132 -2.7206 7.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -2.5044 7.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 -1.0468 6.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1338 -1.0666 4.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -2.5835 5.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2730 4.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 -4.0364 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 -3.8782 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 -2.2650 2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 -1.1023 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.0771 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 -0.6711 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 -1.6756 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -2.1017 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 0.8277 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 1.0702 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 -1.1236 -2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 -2.0072 -2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -0.5562 -3.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -0.3403 -5.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -1.4940 -5.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8146 -1.0163 -3.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 0.4407 -5.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 0.7419 -6.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 1.8077 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7913 1.4788 -3.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 3.2803 -5.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2165 3.0426 -4.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 3.8948 -2.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 5.0996 -4.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 3.7221 -4.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4403 5.3195 -5.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 6.4487 -3.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 5.2719 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8551 5.2402 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 0.9595 -4.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 0.7895 -3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9606 0.9291 -4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 0.5766 -3.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -1.1299 -5.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 -1.4034 -4.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -2.0038 -2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 -1.8770 -3.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 -3.3036 -5.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0237 -3.4442 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 -5.5036 -4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7218 -4.7654 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 -4.6728 -4.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -3.8821 -2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 -6.8930 -3.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 -7.5254 -1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 -5.5307 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 -4.3958 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -5.4749 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 -6.3007 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0069 -6.3775 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -7.5435 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -4.5335 2.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 -5.3000 4.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -7.6316 4.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -8.1740 3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -8.2633 5.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 -6.8745 5.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -8.4984 5.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 4.7036 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 3.9419 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 6.6912 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 5.2454 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 5.2109 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 6.7717 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0937 7.7770 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4911 6.7941 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4773 5.9185 3.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 6.3774 3.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 4.0435 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 4.5400 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 3.4879 4.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 3.9016 4.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 2.0196 2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 2.2190 3.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 1.6839 5.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 1.4948 5.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -0.5941 5.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 -0.2914 4.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 -2.1123 3.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 -0.7962 3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 -1.7511 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 -0.0214 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4607 -2.3407 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 -0.6307 2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3455 -1.7563 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -1.8798 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4309 0.0365 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 0.5454 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2265 1.1553 1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 2.0594 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7394 -0.4883 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8903 0.2675 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7363 1.0522 0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6408 2.4494 0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9735 0.5002 2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3736 1.5801 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7198 2.3160 2.2309 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 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 0 25104 1 0 26105 1 1 27106 1 0 27107 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 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 69175 1 0 M END