HMDB0297989 RDKit 3D DG(20:4(6E,8Z,11Z,14Z)+=O(5)/0:0/a-21:0) 126125 0 0 0 0 0 0 0 0999 V2000 0.6293 -4.3002 6.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8851 6.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 -2.1806 5.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3889 -2.0960 6.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 -1.3842 5.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6315 -1.3265 5.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 -1.8772 4.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6023 -2.6394 3.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4646 -2.0284 2.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -1.5548 1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -1.5561 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 -0.1217 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7386 0.2886 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5331 -0.6120 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0584 -0.1131 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 -0.9869 -3.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 -2.2283 -3.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 -0.5236 -5.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -1.6969 -5.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -1.1773 -7.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 -2.3234 -8.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -2.2673 -9.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4616 -3.4800 -7.3841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -4.6211 -8.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 -5.6746 -7.0373 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6518 -6.1269 -6.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -5.1750 -6.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9464 -4.1710 -5.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 -3.6065 -4.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9353 -3.9204 -4.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -2.5624 -3.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 -1.9762 -2.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 -0.9741 -1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 0.1099 -2.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 1.0090 -3.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 1.9225 -2.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5695 1.3773 -1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4384 2.5336 -1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 2.1274 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3688 1.3668 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5688 1.8990 2.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 2.0586 1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 2.5824 3.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8746 3.9490 3.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 4.3783 4.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3922 5.6945 5.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 6.9081 4.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0055 7.0357 3.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 7.2033 4.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 7.4267 5.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -4.7715 5.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1784 -4.9034 7.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -4.2727 7.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -3.0094 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1265 -2.3162 7.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -1.1935 5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 -2.8428 4.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -1.6155 7.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -3.1478 6.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -0.3314 4.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0995 -1.9195 4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8162 -0.7824 6.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6344 -1.7469 5.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -3.6230 3.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 -2.8721 3.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5556 -1.9744 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7072 -1.1123 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 -1.9484 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 -2.1870 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 0.5359 1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 1.3668 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -1.6624 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 0.9365 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 0.0060 -5.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 0.1611 -4.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 -2.2916 -6.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 -2.3868 -5.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 -0.7321 -7.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 -0.3838 -7.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 -5.0776 -8.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -4.3695 -8.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 -6.5705 -7.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -6.3114 -6.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -4.8495 -6.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 -6.0143 -5.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -1.7901 -4.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -2.9971 -2.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 -2.7571 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 -1.4965 -2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 -0.7565 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3203 -1.6355 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.7210 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -0.3415 -3.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 1.5320 -3.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 0.3096 -3.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9986 2.5134 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 2.7082 -1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1654 0.8235 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2369 0.7696 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 3.3742 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9567 2.9610 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1664 3.0844 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2431 1.4804 -0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9122 0.3393 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3806 1.0540 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9535 2.9011 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 1.1733 2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 2.7457 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.0483 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 1.8176 3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 2.5425 2.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 4.6080 2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 3.9399 3.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 3.6089 5.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 4.2087 4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 5.6720 5.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 5.8163 6.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5159 7.7818 5.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 8.1203 3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9587 6.4755 3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 6.9010 2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 8.1527 3.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 6.4330 3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 8.4806 5.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 6.8022 5.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 7.2965 6.2629 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 2 0 15 16 1 0 16 17 2 0 16 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 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 47 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 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 6 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END