HMDB0300483 RDKit 3D DG(20:4(5Z,8Z,11Z,13E)+=O(15)/i-22:0/0:0) 129128 0 0 0 0 0 0 0 0999 V2000 17.9903 4.6393 2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2133 3.3517 2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4172 3.2840 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6519 1.9592 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8693 1.9230 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1227 0.6498 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 0.3915 0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3628 -0.2475 -1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6910 -1.3997 -1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8737 -2.3391 -2.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2970 -3.4658 -2.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3165 -4.0957 -1.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8608 -3.5299 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -3.1566 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 -3.2447 -1.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 -1.8682 -1.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7906 -1.4548 -1.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 -2.3625 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 -2.4218 -1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0071 -1.0718 -2.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -0.5288 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -0.0008 0.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1015 -0.6031 -0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5588 -0.0970 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -0.2654 0.6255 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5386 0.3807 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 0.1442 -0.8321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 0.1998 1.8133 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3234 -0.6268 2.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -1.8152 2.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 -0.2011 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 -0.1185 3.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 0.8691 3.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 0.8697 1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 -0.3318 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0214 -0.6589 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 0.4366 0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 0.1497 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0562 -0.9762 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0890 -0.7587 -0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8379 0.4993 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2780 0.4916 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8739 1.8154 -1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3135 1.9927 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2119 0.9966 -1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6610 1.2370 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9460 1.1106 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3658 1.3612 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3914 0.4875 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1807 -0.9915 0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7079 0.7441 -1.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0721 4.4300 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5506 5.3771 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9588 4.9927 3.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9121 2.4628 2.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5014 3.2360 3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6905 4.1034 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0448 3.3230 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9498 1.9733 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3553 1.1175 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 2.7949 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5471 2.0322 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0604 -0.0445 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9940 -1.5392 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6226 -2.0227 -3.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5776 -4.0839 -3.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8345 -5.1419 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4668 -4.5504 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5651 -3.4384 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3592 -2.7276 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8009 -3.9707 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 -3.6667 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7408 -1.1513 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5376 -0.4178 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 -1.9284 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1045 -3.3644 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 -2.9189 -2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -3.0890 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -0.3736 -2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1351 -1.1687 -2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.9682 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -0.7131 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -1.3523 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 -0.0885 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 1.4769 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -0.7110 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 0.8171 4.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -0.9106 4.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 -1.1782 3.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 0.1315 5.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1839 0.9732 3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 1.8943 3.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0529 1.0754 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 1.7838 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5695 -0.0808 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 -1.2078 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2547 -1.5968 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0588 -0.9559 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6843 1.3133 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 0.8226 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0026 1.0640 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5075 -0.0703 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6094 -1.9637 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1068 -1.0340 0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6321 -1.6138 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0978 -0.7075 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8385 0.5630 -2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3605 1.4178 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4167 0.3739 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8364 -0.3249 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3165 2.6082 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6481 2.0020 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4402 2.0479 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6066 3.0104 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1469 1.1106 -2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9429 -0.0113 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2350 0.4558 -1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9807 2.2269 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3247 1.8471 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5801 0.1202 0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6244 2.4267 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4567 1.2431 1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3616 0.7221 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7284 -1.0425 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1367 -1.5172 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4820 -1.4449 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8273 0.8714 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4773 -0.1257 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2716 1.6863 -1.8083 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 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 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 48 49 1 0 49 50 1 0 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 6 26 84 1 0 26 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END