HMDB0298560 RDKit 3D DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-13:0) 104103 0 0 0 0 0 0 0 0999 V2000 -14.2155 -4.1192 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9470 -2.8060 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9230 -1.6967 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5520 -0.3451 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4675 0.7442 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4361 0.5593 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1643 0.3549 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6173 0.2862 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3223 0.0906 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3629 -0.0662 -0.1403 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2502 -0.8151 -0.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9346 1.3321 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9808 1.3373 1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8005 1.8688 1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2572 2.5246 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9642 1.8716 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4368 0.8357 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 0.1602 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5301 0.8002 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 0.0441 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 0.2628 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 -0.6833 0.5985 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 1.4969 0.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 1.9130 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 1.4649 1.3106 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6185 1.9265 2.5437 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 0.0366 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8545 -0.2126 1.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6072 -0.1117 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 0.2011 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0821 -0.3430 2.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7038 -0.5944 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6014 0.4401 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1372 1.7795 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5531 1.9628 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6497 1.5738 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 0.1555 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0897 0.0480 -1.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3680 -1.3667 -1.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6772 -2.2324 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8948 -1.7147 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0568 -3.6096 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2570 -4.0833 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0163 -4.1677 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8210 -4.9850 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3822 -2.8077 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7975 -2.6883 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5265 -1.7455 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1467 -1.8971 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2749 -0.1363 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0520 -0.2302 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0729 0.7738 -1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0441 1.7189 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7636 0.5963 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5020 0.2260 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3063 0.3977 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0514 0.0576 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8295 -0.6402 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4816 -0.2736 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6928 1.9618 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8785 1.8095 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3294 0.8458 2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1449 1.8311 2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8826 2.6096 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 3.6011 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4518 2.2740 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 0.4658 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.1022 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 -0.9080 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1204 0.6337 -2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 1.8790 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 0.4454 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 -1.0233 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 3.0579 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 1.6607 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 2.0449 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 2.8380 2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -0.3151 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -0.6624 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 -1.2446 2.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5045 0.4901 2.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2638 -1.5488 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -0.8513 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 0.6320 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 0.1010 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 2.3573 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4437 2.3905 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 1.4919 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6832 3.0914 0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6358 2.0070 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5362 2.1542 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1623 -0.4191 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0696 -0.4017 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7842 0.5898 -2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9163 0.5506 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1804 -1.4413 -2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4236 -1.7832 -2.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7888 -2.3102 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4343 -0.9434 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6319 -2.5390 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6184 -1.2999 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5089 -4.2495 -0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1308 -4.0393 -1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8286 -3.4067 -2.0764 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 25 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 1 0 40 42 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 9 57 1 0 10 58 1 1 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 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 27 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 39 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END