HMDB0298230 RDKit 3D DG(a-25:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0) 138137 0 0 0 0 0 0 0 0999 V2000 18.3031 -0.0167 1.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2302 0.4517 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0831 1.9063 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0586 2.4802 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9376 1.7173 -0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7825 1.9959 -2.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6673 2.4968 -2.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4631 2.8450 -2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2550 2.0315 -2.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1196 2.3894 -1.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5121 0.5829 -2.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5637 -0.2415 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8526 -1.6493 -1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0181 -2.5374 -1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6457 -2.3875 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 -1.1402 -0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 -0.4479 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -0.8347 1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 -1.0161 2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5409 -2.1146 1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 -2.3551 1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 -3.2913 1.4738 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -1.5977 2.9393 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 -1.7432 3.5796 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6496 -2.1006 5.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -1.1176 5.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 -0.4663 3.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -0.1360 2.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 -0.9370 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 -1.9747 1.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 -0.5987 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2811 -1.5731 -0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -1.6122 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 -0.3165 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 0.1948 -1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -0.7977 -1.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 -1.0665 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1429 0.1737 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3879 -0.1474 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2529 1.0457 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7797 1.7027 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6173 0.7325 -1.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8126 0.2453 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5666 -0.6908 -1.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7488 -1.3960 -1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9855 -0.6853 -1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8557 0.2991 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2353 0.8976 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9080 1.5796 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1891 2.2598 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3613 1.5519 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8185 0.3547 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7075 1.5106 1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7907 0.9238 2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3097 0.1809 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1851 -1.1217 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5863 0.5000 2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2979 0.2340 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6155 -0.1728 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8730 2.5777 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0369 3.5926 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0467 1.9729 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0172 0.6194 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6330 1.7719 -3.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6666 2.6631 -3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5427 2.9223 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1966 3.9028 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 2.2189 -3.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2914 2.1253 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4496 0.1272 -2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6611 0.2748 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8535 -2.0271 -2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3919 -3.6026 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9966 -3.1327 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5692 -2.8498 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7149 -0.7400 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9617 0.4883 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0686 0.0626 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 -1.7097 1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6747 -0.0784 1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 -1.1927 3.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 -1.8380 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 -3.0585 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -2.6129 3.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -2.2329 5.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 -3.1084 5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3093 -1.4256 5.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 0.3752 3.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 -0.5421 4.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -0.6811 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 0.4580 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 -2.5968 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1523 -1.4761 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -1.9413 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -2.3927 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 0.4673 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 -0.4479 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 0.2914 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 1.1720 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -1.7154 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -0.3853 -2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0556 -1.5611 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9124 -1.8145 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5611 0.9708 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 0.5794 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0329 -0.5126 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9588 -0.9772 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0475 0.7589 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5852 1.8230 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3275 2.6017 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9304 2.0044 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0329 1.2772 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9926 -0.0856 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2672 1.1421 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3947 -0.3365 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8522 -1.4735 -2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8548 -0.1265 -2.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4070 -1.9590 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9940 -2.2974 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7952 -1.4519 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3525 -0.1454 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4218 -0.1141 0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3424 1.2124 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9909 1.5350 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8486 -0.0129 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1815 2.3671 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9833 0.8774 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4851 2.8228 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0201 3.1437 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2505 2.3208 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8153 0.6307 -1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8619 0.1327 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2104 -0.5350 -0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7109 0.9675 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9753 2.5452 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2641 0.9543 3.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8945 1.5520 2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4765 -0.1114 2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 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 24 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 6 25 85 1 0 25 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END