HMDB0297276 RDKit 3D DG(20:3(8Z,11Z,14Z)-O(5,6)/a-13:0/0:0) 104104 0 0 0 0 0 0 0 0999 V2000 11.9550 1.8030 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3196 2.8564 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 2.4515 2.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5291 1.1939 2.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0901 1.0199 2.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6161 1.0851 1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 0.0605 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 -1.2838 1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6847 -2.2112 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1284 -3.2282 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8061 -3.7674 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6884 -3.2799 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -2.7897 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 -2.6751 -1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 -3.4612 -2.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 -3.2802 -1.7029 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -2.7952 -3.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -1.3053 -3.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 -0.9086 -4.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -1.4757 -3.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -1.0655 -2.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -0.2166 -2.9186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 -1.4864 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 -1.0851 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 0.3973 -0.1314 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0706 0.7793 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 2.1457 0.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 0.7375 1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2738 1.6041 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 2.0344 -0.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 1.9316 1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2659 2.8259 1.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1737 2.2507 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7934 0.9470 0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 0.9267 2.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8670 1.8476 2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7043 1.5040 0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2232 0.0924 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0531 -0.1200 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2050 0.8429 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4841 -1.5360 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2853 -2.4683 -0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 1.2765 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 2.2869 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5911 1.1049 0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3677 3.2267 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0713 3.7390 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2919 2.3990 2.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 3.2674 3.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7352 0.8504 3.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0630 0.3974 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5989 1.9903 2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 0.2634 3.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6398 2.0026 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 0.1251 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 -1.2383 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8173 -1.4300 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7825 -1.9857 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -3.8252 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -4.0499 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9471 -4.8726 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7225 -3.3457 1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 -2.4492 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 -2.8562 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -1.5757 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -4.5275 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -3.4136 -3.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0558 -0.8211 -3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 -0.9080 -2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.1236 -5.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 0.2108 -4.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -1.1064 -4.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -2.5936 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -1.6532 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 -1.3749 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7716 0.9227 -1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6258 0.5703 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 0.1920 0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 2.6199 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4443 0.9761 2.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 2.4494 2.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 3.7794 1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8509 3.0889 2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7465 2.1664 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0012 3.0249 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3038 0.5710 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 0.2202 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0617 1.2089 3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0250 -0.0965 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4776 1.6511 2.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6065 2.9091 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1115 1.6781 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5604 2.2311 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3507 -0.5958 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8090 -0.1193 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4443 0.1722 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1411 0.3500 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3380 1.2255 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0007 1.7607 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0659 -1.6396 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0852 -1.8704 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6386 -3.4392 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7947 -2.6691 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5764 -2.0875 -1.4829 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 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 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 39 41 1 0 41 42 1 0 17 15 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 26 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END