HMDB0299798 RDKit 3D DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0/i-19:0) 122121 0 0 0 0 0 0 0 0999 V2000 -13.1444 5.1690 2.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3917 3.9071 2.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6954 3.4624 1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9826 2.2199 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3116 1.0302 1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5602 -0.2153 1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.9317 -1.2423 2.0355 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1317 -0.5258 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7481 -1.5777 -0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3480 -1.8228 -2.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9939 -2.8253 -2.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9588 -3.7966 -2.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8760 -3.7197 -3.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6268 -3.4230 -3.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1578 -3.1133 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0913 -4.0502 -1.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8944 -3.6491 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 -2.2486 -1.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0206 -1.8227 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6337 -0.3912 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5746 0.0569 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 0.7599 -1.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -0.2055 -0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 0.2509 -1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 1.7065 -1.3044 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1031 2.4717 -1.6505 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.2720 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 1.6292 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 0.4560 0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 -0.3383 1.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 0.0505 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -0.7293 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 -1.2600 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -0.3867 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 0.5078 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2863 -0.1684 2.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3199 -1.1980 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -0.9838 1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -0.5652 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 -0.4571 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 -1.7218 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8045 -1.6640 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6756 -0.8755 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5609 0.5907 1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6968 1.3498 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5684 2.8410 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7117 3.5592 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7250 3.2977 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1629 5.0852 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2000 5.2366 4.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6332 6.0324 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3096 3.9933 2.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7518 3.0933 3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7792 3.4425 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2934 4.2856 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8771 2.4431 0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3020 1.9819 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0786 1.2709 2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4067 0.8635 1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4842 -0.0270 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3860 -1.9941 1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8969 0.0838 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9889 -2.1812 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1401 -1.1151 -2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4711 -2.9893 -3.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6955 -3.8180 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3919 -4.8650 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1549 -3.9413 -4.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8816 -3.3876 -4.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8568 -2.0466 -1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 -3.1390 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 -5.1190 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1067 -4.3852 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 -2.1925 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 -1.4864 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2284 -2.5168 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8995 -1.9688 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -0.1242 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 0.2120 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 0.0204 -2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 -0.3816 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 1.8945 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 2.5291 -2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 3.3890 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 2.2677 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 0.8931 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.6713 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 -0.0466 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -1.5499 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 -1.9448 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3655 -1.9971 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 0.3122 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -0.9408 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 1.1987 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 1.2728 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3184 -0.6741 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 0.5958 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -2.1185 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 -1.5966 3.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2356 -0.2748 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2389 -1.9901 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 -1.4224 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7506 0.3799 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0094 0.3481 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8742 -0.1346 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1758 -2.0367 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9652 -2.5730 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0452 -1.3597 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2509 -2.7260 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7744 -1.1528 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5338 -1.2706 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5259 0.8908 1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7887 0.9523 1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7249 1.1662 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9550 0.9969 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5845 3.0661 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7554 3.9548 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 2.8282 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0143 4.4152 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5276 3.0164 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6335 2.7570 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8835 4.3784 0.8932 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 1 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 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 46 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 6 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 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 47117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END