HMDB0054205 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -1.1724 1.1175 -1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 1.9231 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 2.2811 -3.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 3.5276 -3.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 4.7264 -2.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 5.5370 -3.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 5.7938 -2.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 5.3537 -1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 6.5548 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 7.0123 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 6.5019 0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 5.3356 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 4.2553 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 4.0054 1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 2.6801 2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 2.4221 3.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 1.0783 4.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 0.9666 5.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -0.3734 6.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 -0.7894 5.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3114 0.0714 5.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -2.0792 5.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -2.7815 5.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3422 -3.0607 4.1802 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2731 -1.8668 3.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -2.0936 1.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 -2.7811 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 -3.2016 1.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 -3.0089 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 -3.5426 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -3.7064 -2.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -2.4427 -2.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 -1.8071 -3.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -2.2385 -4.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4983 -2.3800 -5.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 -3.4184 -6.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -4.7210 -5.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 -5.0702 -6.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6053 -5.2904 -6.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0506 -5.2947 -4.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2204 -5.0678 -3.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 -4.0724 -2.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 -3.0343 -2.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2913 -3.1122 -1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -2.8933 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4461 -2.9897 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 -2.7773 2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 -3.7822 4.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 -5.0156 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -5.5119 3.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 -5.8619 3.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 -6.9282 2.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 -6.5313 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -5.7199 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5984 -4.4285 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 -3.5943 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8316 -2.3883 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5805 -1.3527 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9956 -0.2356 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6814 0.8653 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2596 2.1111 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0377 2.5723 0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4273 3.5633 1.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 4.7698 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 5.3048 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7064 5.7209 1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 4.5076 2.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 4.8087 3.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 3.5234 3.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 0.9791 -2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 0.1493 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 1.6987 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 1.1928 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4152 2.7097 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 1.4529 -3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1749 3.6790 -4.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 4.4544 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 5.3416 -2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7746 5.9104 -4.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 6.4042 -2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 4.7316 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 4.7018 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 7.1379 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 7.9668 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 7.4163 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3774 6.3848 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 5.3609 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 3.4680 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 4.7516 2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2715 3.8287 2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 2.7689 1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 1.8322 1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6565 2.4985 4.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 3.1969 4.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 0.8334 3.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 0.2662 3.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 1.2596 5.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 1.7802 6.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 -1.1541 5.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 -0.2841 7.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -3.7411 6.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 -2.2267 6.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -3.7704 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 -1.4193 3.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 -1.1127 3.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 -3.6953 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -1.9942 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 -2.7774 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1357 -4.5196 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 -4.4437 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -4.2364 -2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4613 -1.9781 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 -0.8489 -4.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 -1.3596 -4.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -3.1111 -3.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 -1.4626 -6.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 -3.3871 -7.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 -4.6551 -4.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4629 -5.4798 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 -5.1390 -7.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -5.5385 -6.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 -6.3459 -4.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 -4.6530 -4.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 -5.7598 -3.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 -3.9954 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 -3.0102 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 -2.0358 -2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8427 -4.0839 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0313 -2.2839 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 -1.9000 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7203 -3.6988 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -2.1456 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 -3.9454 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7699 -3.6731 2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -1.9354 2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 -2.5735 1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -6.4601 4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 -5.3314 3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 -7.5012 2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 -7.7242 2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -6.0078 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 -7.5055 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5498 -5.4776 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 -6.3476 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3958 -4.6916 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -3.7869 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3027 -4.1531 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 -3.3855 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5501 -2.7678 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9594 -1.9766 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5465 -1.7902 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0201 -0.9212 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 0.0489 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6463 -0.7126 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5963 0.6711 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8219 2.8941 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 3.0185 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5106 1.7756 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1468 3.2693 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2605 5.5012 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3032 6.2992 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 4.6863 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 6.4854 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 6.1222 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 4.1242 2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8824 3.7144 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 5.1722 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 5.5369 3.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 3.5252 4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 2.6791 3.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 3.3830 4.8131 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 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 2 0 33 34 1 0 34 35 1 0 35 36 2 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 1 0 45 46 1 0 46 47 1 0 24 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 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 6 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 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 61156 1 0 62157 1 0 62158 1 0 63159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END