HMDB0295233 RDKit 3D DG(15:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 110109 0 0 0 0 0 0 0 0999 V2000 10.0576 2.0696 -2.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8863 3.2829 -2.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3388 3.0457 -2.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9614 2.0061 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8384 2.0871 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 1.9895 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2514 1.0259 1.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1705 -0.0059 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8959 -0.9611 2.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6523 -1.0941 3.3456 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0859 0.0885 3.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 -1.9462 2.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1284 -1.5029 1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -1.1620 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -1.2107 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 -2.1343 1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4562 -1.7499 1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 -2.7340 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 -2.6740 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -1.3000 2.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 -0.9373 1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2493 -1.0396 1.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -0.5081 0.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 -0.1444 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.1205 -0.3794 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7888 1.1291 0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 1.6072 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 0.8531 -1.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 0.6645 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 1.2383 -0.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1147 -0.1946 -1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1295 -0.2159 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3484 -1.0241 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1036 -0.5020 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3315 -1.3299 -2.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2959 -1.3658 -1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4673 -2.2333 -1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5052 -2.3682 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1021 -1.0578 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7667 -0.3191 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3662 0.9850 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4240 0.8016 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0251 2.0920 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9403 2.9877 1.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 1.1618 -2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9754 2.2595 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2204 1.8451 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6961 3.9949 -3.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5054 3.7831 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7096 2.8748 -3.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8402 4.0488 -2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6149 0.9608 -1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0823 1.9225 -1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6622 1.4724 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2240 3.1635 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7967 2.7585 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2308 1.1020 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1759 -0.0525 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6836 -1.7377 2.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9111 -1.6981 4.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6251 0.4757 4.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -2.9554 2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 -2.1958 3.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8843 -1.4462 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6393 -0.8374 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 -1.3128 3.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 -0.1667 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 -3.1828 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -0.6924 1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -3.7336 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -2.4119 0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -2.8679 3.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -3.4243 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -1.3040 3.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -0.5640 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 -0.0181 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 -0.9770 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 1.9129 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4512 1.7014 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 1.5200 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9028 2.6789 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -1.2416 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 0.1153 -2.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4545 0.8469 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6058 -0.4942 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 -0.9239 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1456 -2.0986 -1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3165 0.5904 -2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4785 -0.5881 -3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0010 -2.3472 -2.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8243 -0.9158 -3.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7046 -0.3800 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8111 -1.8004 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0386 -3.2602 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8501 -1.8424 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0090 -2.8067 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2970 -3.0752 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2958 -0.4726 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8787 -1.2958 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9982 -0.0534 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4983 -0.9684 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5206 1.6185 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8159 1.5035 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2245 0.1177 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9442 0.3258 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5049 2.5981 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7732 1.8479 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4710 2.4013 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2195 3.2810 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3580 3.9005 1.7492 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 2 0 9 10 1 0 10 11 1 0 10 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 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 1 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 1 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END