HMDB0007555 RDKit 3D DG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 11.9434 -0.7147 -3.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9491 -1.1152 -1.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3163 -2.5390 -1.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5532 -3.4867 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 -3.2393 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2165 -3.6262 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9811 -2.8492 2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6516 -1.4128 1.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3298 -1.0574 2.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1059 -0.2031 3.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1545 0.5040 4.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 1.9582 4.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6085 2.8956 3.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4117 2.7932 2.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7468 3.4025 1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6444 2.7862 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 1.4063 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9437 1.3220 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8677 2.2546 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 2.2092 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 0.8537 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 0.8311 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 1.7506 -3.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 -0.1097 -2.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1664 -0.1375 -3.1866 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2454 -1.3693 -4.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -2.5381 -3.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 0.2288 -2.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9448 -0.5229 -1.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4435 -0.7375 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -0.1993 0.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 -1.5901 0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -0.5754 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 0.2073 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6008 1.2126 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4669 1.9947 0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4202 1.1212 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 1.9878 -1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4585 2.1629 -1.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5299 1.5786 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1203 0.6687 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4474 -0.5820 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2170 -1.4241 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7921 -0.9934 -1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0432 -0.9715 -1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2494 -1.3662 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2490 -1.9688 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7742 -1.4861 1.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4728 -0.2047 1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8992 -0.5146 1.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8897 -0.5239 -3.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5448 0.2006 -3.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3392 -1.5403 -3.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 -0.8356 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7616 -0.5091 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 -2.8457 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9531 -4.5188 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8387 -2.2701 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5101 -4.0356 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4577 -4.6910 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0347 -3.2962 3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4979 -0.7953 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5793 -1.1921 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 -1.5562 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 -0.0680 3.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1691 0.1996 5.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1692 0.0882 3.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1747 2.3682 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9494 3.9612 3.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8826 1.8620 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6678 3.5336 3.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1014 4.4569 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 3.3022 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 0.8304 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 0.8684 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6403 0.2570 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 1.6658 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 3.2819 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 1.8991 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 2.9876 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 2.4798 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 0.7368 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6771 0.0274 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 0.7066 -3.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 -1.2660 -4.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 -1.4456 -4.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -3.2339 -3.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 0.1014 -3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 1.3420 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -2.2329 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 -2.1244 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 0.1412 2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 -1.0609 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2868 0.6915 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 -0.5422 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 1.9178 2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 0.7411 2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0467 2.7883 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 2.5217 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 0.5776 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8406 0.2946 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5323 2.5777 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7756 2.9251 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9740 2.5290 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3149 1.2556 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5066 1.0934 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0345 -1.1418 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4588 -2.2711 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8788 -2.0506 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0927 -0.6474 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2687 -0.5628 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8192 -2.0394 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9770 -0.4852 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8017 -2.9826 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6780 -2.0955 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0015 0.3796 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4193 0.4643 0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5698 0.3377 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1842 -1.4365 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9636 -0.6916 3.0265 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 1 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END