HMDB0299369 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/i-17:0/0:0) 116115 0 0 0 0 0 0 0 0999 V2000 -13.5764 -1.6354 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9076 -2.5357 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0445 -3.7728 0.0099 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3975 -4.5754 1.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5779 -3.5017 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1335 -2.6777 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6822 -2.4609 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0623 -1.3099 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8436 -0.0428 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6442 0.7262 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1848 1.9175 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7513 2.8134 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7787 2.5729 2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 2.5214 2.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 2.7157 2.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4624 1.5651 2.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 0.8640 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 1.0829 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7623 1.4621 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 2.7792 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 3.1561 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 4.3771 -0.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2537 2.2341 -1.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 2.6535 -1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 1.4456 -2.5347 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3941 0.6441 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4398 0.1238 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.5878 -1.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 0.3068 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 0.8556 -2.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -0.5466 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -0.4856 -0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 0.8778 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7164 0.9682 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1656 2.3794 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 2.6311 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5454 1.6758 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3594 1.8079 1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 1.0612 2.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3628 -0.3906 2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 -1.1012 1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9485 -2.6004 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3753 -3.3542 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6939 -3.1291 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0280 -1.7980 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8315 -3.6556 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9661 -0.7853 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0796 -2.1284 -2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4771 -1.1375 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9038 -1.9922 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9619 -2.8940 -0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2979 -4.3536 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5246 -5.5165 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0651 -4.4839 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2807 -3.0735 -0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7629 -1.8435 1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2354 -3.4436 2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0587 -3.3813 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9956 -1.2605 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9423 -0.3426 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7679 0.4679 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9115 0.2440 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0923 2.3713 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7767 3.3501 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4598 3.7525 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7496 2.4700 2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8406 2.3259 3.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9433 3.6241 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 2.9670 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2591 1.2704 3.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 0.0295 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 0.0591 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 1.7129 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 1.6378 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 0.6773 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0109 3.5585 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 2.6710 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 3.2693 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 3.3325 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 1.7632 -3.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 1.2110 -4.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.2466 -3.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1069 -0.6204 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.2453 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -1.6320 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 -0.8911 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 -1.1979 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 1.6804 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 1.0947 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9691 0.7681 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2109 0.2670 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 2.6097 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5591 3.1046 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 3.6589 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7705 2.6041 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5688 1.9415 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2912 0.6825 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2812 1.5140 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 2.9101 1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0692 1.4046 3.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3115 1.5387 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0218 -0.7523 3.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3428 -0.8112 2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7701 -0.6396 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0928 -1.0288 0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5221 -2.8041 2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8907 -2.9112 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3373 -4.4728 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5368 -3.2851 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -3.8559 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6878 -1.9767 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1721 -1.2460 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 -1.1788 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9354 -4.7578 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6406 -3.3887 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7498 -3.1980 0.0495 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 6 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 26 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 M END