HMDB0053238 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6) 169168 0 0 0 0 0 0 0 0999 V2000 -2.5213 -7.6383 3.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 -6.2841 3.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 -6.3752 5.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -5.6640 5.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 -4.6973 4.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1726 -3.3253 5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 -2.5437 5.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 -2.9931 5.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -2.1032 4.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 -2.4615 3.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -3.9128 2.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -4.2848 2.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 -4.7752 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -5.1075 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -4.9713 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -4.2199 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0596 -3.3482 -2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -3.8167 -3.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -3.0097 -4.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 -1.6059 -3.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1963 -1.2621 -3.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -1.5577 -4.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5578 -2.0853 -5.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -1.2146 -4.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 -1.3691 -4.9353 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2400 -2.3045 -4.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 -1.7875 -2.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2856 -2.4883 -1.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 -3.5714 -2.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5534 -1.9798 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4163 -2.9816 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7685 -2.6317 1.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5107 -2.4793 2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8861 -2.2240 3.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 -1.1843 4.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7622 -0.0638 3.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 1.2115 3.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 2.1968 4.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 2.2618 5.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 3.3018 5.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 4.2436 4.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 4.5408 3.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 4.6435 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 3.4685 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.1910 1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 1.1140 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0532 -0.0906 -5.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 0.6446 -6.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 1.8968 -6.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 2.3389 -6.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9253 2.6243 -7.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6404 3.2246 -7.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 2.1748 -6.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 2.8028 -6.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 1.7241 -5.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 2.2325 -5.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 3.3001 -4.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3651 2.8877 -3.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 4.0775 -2.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 3.7405 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 3.7379 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 4.0832 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 5.2582 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2563 5.2603 2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 4.1435 2.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5503 4.4818 2.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 4.7953 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9263 3.7082 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6886 2.4494 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4723 -7.5212 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 -8.1707 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6977 -8.2384 3.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 -6.0601 4.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 -5.5252 3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 -7.0973 5.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 -5.7864 6.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -4.6250 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -5.1117 4.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 -2.9397 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -1.5316 5.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -4.0158 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8143 -2.8354 6.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -1.0096 4.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.7451 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 -3.8654 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 -4.5039 3.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -4.1256 3.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 -4.9884 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9963 -4.7057 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6392 -6.2416 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -5.5909 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 -4.1927 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -3.5302 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8801 -2.3157 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -4.8585 -3.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 -3.4035 -5.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 -1.0559 -4.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 -1.1250 -3.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 -0.1651 -3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.7822 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 -1.9170 -5.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1739 -2.4320 -4.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 -3.2905 -4.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0942 -1.0164 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5594 -1.8298 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3669 -3.0402 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0007 -4.0165 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3375 -1.6744 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4343 -3.3869 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8895 -1.7544 1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 -3.5189 2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5073 -3.0150 4.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8957 -1.0588 5.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5046 -0.1606 2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8021 0.0346 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4449 1.3069 3.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 3.0819 4.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4491 1.2603 5.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 2.3938 6.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 3.3174 6.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 4.9525 4.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 5.5695 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4328 3.7942 3.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 5.5534 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 4.8909 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 3.2822 2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 3.7314 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3032 1.8753 2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3566 2.3227 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 1.3755 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4159 1.0843 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 0.1236 1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0285 -0.3304 -5.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 0.4805 -4.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 1.9132 -8.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 3.4502 -8.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 3.7219 -8.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8502 3.9614 -6.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 1.4414 -7.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 1.6529 -5.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 3.2071 -7.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 3.6367 -5.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 1.3500 -4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 0.8708 -6.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 2.5900 -6.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 1.3677 -5.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 4.2232 -4.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0151 3.5929 -4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 2.7114 -3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 2.0090 -2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 4.8581 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 4.5528 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 3.4720 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 3.4796 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 3.2059 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 4.2006 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 6.2123 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3524 6.2280 2.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 4.0111 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8251 3.2049 2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6921 5.3825 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 3.6358 3.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4878 5.6789 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1270 5.0595 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9096 3.4447 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4379 4.0996 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2344 1.6142 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5476 2.2119 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7676 2.5459 0.3535 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 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 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 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 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 6 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 69169 1 0 M END