HMDB0007513 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)/20:0/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 -14.9223 2.6447 -4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5235 2.2386 -3.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9418 1.1341 -2.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5689 1.3073 -1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4534 1.4085 -2.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3216 0.2279 -3.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3081 -0.5480 -3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0156 -0.5274 -3.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5612 0.5009 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2789 0.3308 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4232 -0.9474 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2933 -1.6356 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0326 -1.2970 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 -0.1399 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7084 0.8321 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6282 0.9034 1.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2013 0.0106 2.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -0.7960 3.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4806 -0.0833 4.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 0.6797 4.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 1.9087 4.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -0.0929 3.6437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 0.4180 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -0.7377 2.7663 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1092 -1.4915 4.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 -1.7601 4.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -0.4667 2.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -1.0831 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9972 -1.9576 0.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -0.6692 0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 -1.8208 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 -3.0388 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2464 -2.9955 2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -3.0398 2.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8613 -2.3988 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6656 -2.5086 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 -2.0790 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2282 -0.5778 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5272 0.1087 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3821 1.5796 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5735 2.3547 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 1.7837 -0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0346 2.5310 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3596 2.0841 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7088 2.0872 -1.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9937 1.2180 -2.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0795 -0.2551 -2.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3145 -1.0220 -3.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4446 1.8238 -4.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3150 3.5889 -4.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7458 2.9801 -5.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6425 2.0493 -3.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6161 3.1857 -2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1393 0.1190 -2.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5891 1.0524 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5541 2.2892 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2911 0.5817 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6563 2.2759 -3.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5430 1.7290 -2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2060 -0.0622 -4.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4437 -1.4237 -4.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2736 -0.4562 -4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7037 -1.5829 -2.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3873 1.5082 -2.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9557 1.2611 -0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0315 -1.6861 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1469 -0.7537 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5151 -2.6181 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3291 -2.0235 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5367 -0.6417 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9458 0.3678 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1839 1.6506 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 1.8185 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0503 -0.6310 2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8226 0.7605 3.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -1.4953 3.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 -1.4772 4.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0677 0.6869 5.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -0.7881 5.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 0.9057 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 1.2052 3.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -1.4647 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 -0.7703 4.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 -2.4157 3.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -2.4365 3.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 -0.4155 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 0.2101 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 -1.5398 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -2.0193 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -3.8447 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 -3.4868 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7022 -2.1034 2.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 -3.8732 2.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8514 -4.2338 2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5421 -2.9979 3.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7601 -1.2501 2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5968 -2.6829 3.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9576 -3.6445 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7531 -2.1194 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -2.3968 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5166 -2.5842 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4359 -0.1179 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 -0.3772 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 -0.3588 -0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6909 -0.0290 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 1.7198 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 1.9289 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6715 2.2530 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5523 3.4149 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6276 2.0157 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9467 0.7115 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8615 3.6307 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9903 2.5470 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 1.0395 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1611 2.6745 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5568 3.1540 -2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8250 1.9234 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6359 1.2695 -3.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0290 1.5558 -3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6545 -0.4951 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1467 -0.5473 -2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2481 -0.8922 -3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6038 -2.0878 -3.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5978 -0.5658 -4.5526 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 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 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 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 23 80 1 0 23 81 1 0 24 82 1 6 25 83 1 0 25 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 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 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 M END