HMDB0053127 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:3n6) 175174 0 0 0 0 0 0 0 0999 V2000 -4.7056 -7.0394 5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 -6.7801 5.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 -6.6963 6.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -6.4423 6.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -5.0945 6.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -3.9844 6.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 -3.0807 6.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -3.0713 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 -1.7834 4.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -0.9759 3.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 -1.2835 3.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8267 -1.3291 1.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7401 -0.5435 1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4701 0.4544 2.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 1.8620 1.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0307 2.4769 1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 1.9428 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 2.7632 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 2.3707 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 3.1525 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 3.5843 0.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0784 3.4202 -2.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 4.1043 -2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 3.3090 -1.6797 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7052 2.2562 -2.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9037 1.3603 -3.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 0.3492 -3.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 -0.1064 -1.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 -0.2322 -4.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 -1.3694 -4.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.1709 -3.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5822 -0.0139 -3.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 0.0652 -2.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 -0.0023 -3.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5467 -0.1627 -4.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7306 -0.3412 -5.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 0.4975 -6.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3072 1.7348 -7.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2717 2.4099 -6.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0357 3.6127 -5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 4.3806 -5.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9899 5.7393 -6.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 6.4228 -6.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 6.6807 -5.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 7.5604 -4.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 2.9141 -0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9287 3.4490 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 4.2689 0.2738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 3.1684 2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 2.0952 2.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 1.8852 3.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 1.4360 4.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 0.1017 4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 -0.6990 3.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -1.3207 2.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -2.1280 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1103 -2.8270 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -1.9705 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 -2.8779 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -3.5910 1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1268 -3.5128 1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 -2.7073 1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6269 -1.6474 2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6685 -0.3513 2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3147 0.1746 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 1.1659 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8122 1.6832 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 2.6873 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 3.9307 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 -7.9540 5.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -6.1719 5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0549 -7.1677 3.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -5.9138 4.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 -7.6578 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -7.6396 7.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3549 -5.8194 7.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -7.1987 6.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -6.5033 7.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -4.9523 6.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -5.2223 5.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 -3.9164 7.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 -2.3011 6.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7093 -3.3501 4.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 -3.8209 4.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 -1.5342 4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6487 -0.0114 3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8235 -2.1915 3.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0052 -0.4541 3.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 -2.0505 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -0.6628 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6093 0.1898 1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3275 0.4514 3.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9068 2.5134 2.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0045 2.0234 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4372 2.2898 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0792 3.6081 1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9535 0.8865 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 2.0770 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 3.8180 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 2.4907 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.2827 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 2.6413 -1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 5.0602 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 4.3721 -3.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 4.0468 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1527 2.8417 -3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 1.7784 -2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 0.5757 -4.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -0.4460 -5.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -2.2051 -3.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 -1.8423 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -2.1062 -3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4131 -0.9342 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 0.0038 -4.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 0.9011 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 0.1875 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7741 0.0857 -2.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4709 0.4572 -4.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1074 -1.2032 -4.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 -1.3032 -6.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 0.1702 -7.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4942 2.4686 -7.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 1.6114 -8.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2683 2.0048 -6.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8579 4.0411 -5.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4992 4.6803 -4.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9115 3.8405 -6.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7566 6.2987 -6.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3583 5.6243 -7.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 7.3417 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 5.7187 -7.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 5.6992 -4.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0368 7.2253 -5.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 7.3026 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8309 7.4363 -4.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 8.6383 -4.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 4.0744 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 2.8565 2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 2.5830 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 1.2710 1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 2.8262 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 1.0943 4.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4512 1.6428 5.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 2.2428 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 -0.5238 5.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 0.1824 4.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 -1.5081 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -0.1459 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -0.7392 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -2.1658 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -2.9175 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 -1.4515 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 -3.4892 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -3.5961 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -1.4620 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 -1.2013 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -2.2907 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -3.6290 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1936 -4.2387 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2966 -4.0990 2.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -3.4301 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0396 -2.3408 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9260 -1.9071 3.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9658 0.3832 2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1978 0.8421 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 -0.5094 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 2.0183 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3008 0.6469 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7248 2.1360 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 0.8181 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 2.3125 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5598 2.9593 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 4.1033 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 3.8453 1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5851 4.8425 -0.2199 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 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 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 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 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 1 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 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 61160 1 0 62161 1 0 62162 1 0 63163 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