HMDB0053425 RDKit 3D TG(20:2n6/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 177176 0 0 0 0 0 0 0 0999 V2000 -0.7411 -12.9854 4.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 -11.5832 4.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -11.0306 5.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -9.7731 5.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -8.5741 5.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 -8.6101 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 -7.6815 2.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -6.4965 3.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9729 -5.9802 4.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -5.8822 4.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3758 -6.2764 3.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 -5.3943 3.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -4.1096 3.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 -3.2968 4.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8961 -2.5178 5.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7122 -1.2111 5.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0651 -0.4549 4.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 0.5475 3.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 1.8206 3.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 2.4276 4.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 3.0363 3.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 4.0940 2.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 4.4696 2.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 4.7320 1.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2437 5.7335 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 6.2770 -0.5286 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1607 7.3338 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 6.6246 -1.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 5.6799 -2.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 5.5014 -3.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 4.8514 -3.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 3.8767 -4.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 2.9664 -5.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 2.0410 -4.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 0.9765 -3.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 1.4502 -2.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 0.2850 -1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 -0.6882 -1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 -1.8154 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 -2.9024 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 -3.3937 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 -2.8252 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 -2.3045 1.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -2.1930 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 -2.5992 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 -1.3880 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -0.9411 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 0.2060 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 0.6580 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 6.8364 -0.0226 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 6.6002 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 5.8955 -1.7298 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 7.0063 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 6.1359 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 4.7531 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 3.8830 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 3.2314 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 3.1851 -2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7533 1.8313 -2.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 1.2200 -3.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 1.7355 -3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 3.0784 -2.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 4.0462 -3.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9247 3.9339 -5.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2698 4.2349 -5.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4341 3.4714 -5.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0574 3.4138 -4.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6526 4.6411 -3.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8405 5.7377 -2.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1309 5.3641 -1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2987 6.5434 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -13.6674 5.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 -13.3355 3.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -12.8277 5.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 -11.6572 3.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 -10.9655 4.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -11.0191 6.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -11.8147 6.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -9.4878 6.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -9.9401 5.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 -8.6786 5.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -7.6417 5.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 -9.4268 3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 -7.8811 1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 -5.6576 2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -6.4687 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -5.5656 5.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -5.4639 5.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 -6.9404 3.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9469 -7.1197 4.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3018 -5.9207 3.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.6321 3.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -2.4471 3.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -3.6388 4.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 -3.0191 6.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -0.6330 6.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 -1.0014 3.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 0.1230 5.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 0.1873 3.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3761 2.4567 3.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 3.3473 4.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7487 1.8902 4.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 2.2700 2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 3.4912 3.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 5.2429 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 6.5227 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 5.5395 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5938 8.0402 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 7.7607 -2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 4.3509 -2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 5.5185 -4.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.4827 -3.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 4.5793 -5.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 2.3292 -5.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 3.5834 -6.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2776 1.4819 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8758 2.5865 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8993 0.2157 -4.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 0.3408 -3.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0903 2.0532 -2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 2.0869 -2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -0.2390 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 0.6945 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 -0.1959 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 -1.0744 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 -2.2617 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3443 -1.3335 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1286 -3.4025 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 -4.2815 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7673 -3.7080 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -2.1392 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -1.8985 2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -1.7543 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -3.3350 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 -2.9139 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 -0.5842 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 -1.8073 -1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -0.6235 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1822 -1.7534 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6006 1.0819 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7025 -0.1829 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8862 1.3665 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7145 -0.1965 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 1.1274 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 8.0198 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 7.2426 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7918 6.1106 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 6.6591 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 4.3017 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 4.8412 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 3.7562 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 2.6064 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 3.5457 -2.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 3.9473 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 1.1778 -2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 0.1206 -3.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 1.5217 -4.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7981 1.0389 -2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3737 3.3684 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 5.0478 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 3.0086 -5.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2352 4.7511 -5.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1984 4.2172 -6.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 5.3483 -5.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3040 3.7902 -6.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3222 2.3669 -5.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2884 2.9655 -3.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8413 2.5884 -4.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2979 5.0988 -4.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4914 4.3589 -2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0912 6.1917 -3.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5553 6.5651 -2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5257 4.4744 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9265 5.2450 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9378 7.2595 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 7.0497 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 6.2236 -0.5576 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 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 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 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 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 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 49144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 70173 1 0 70174 1 0 71175 1 0 71176 1 0 71177 1 0 M END