HMDB0296015 RDKit 3D DG(19:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0) 122122 0 0 0 0 0 0 0 0999 V2000 13.4493 1.4408 2.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3378 1.4580 0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7884 1.5973 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9477 0.6472 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5996 0.2033 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2466 -0.4825 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7676 -0.9617 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4604 -1.9386 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9983 -2.3467 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -3.3517 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7191 -2.8662 -2.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8877 -1.6464 -3.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 -1.9104 -2.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -0.6250 -3.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2038 -0.8169 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 0.4950 -3.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 1.5903 -2.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 1.3078 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 1.2236 -0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 2.3366 -0.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 0.0332 -0.3685 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 0.0462 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 0.6765 1.3083 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1153 -0.1517 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -1.3911 2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 0.8324 1.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 2.0321 2.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 3.0008 2.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 2.3364 2.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9102 3.7337 3.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2997 4.0529 3.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6321 3.1072 5.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6777 2.3591 5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7833 2.2396 4.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9589 3.0523 3.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9925 2.6957 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8646 1.3822 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6214 0.2087 1.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4627 -0.7951 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 -0.8909 1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 -2.0848 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8068 -2.0833 -0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2189 -1.9065 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5892 -0.5720 -1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0031 -0.6097 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1964 -1.4877 -3.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4126 -1.0159 -2.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5875 -1.9308 -2.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9466 1.9511 2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5331 2.0424 1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2338 0.3976 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0894 2.3223 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0120 0.5177 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1975 2.6200 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6785 1.8859 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9539 0.9685 -2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5876 -0.3526 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9102 1.1284 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2299 -0.4092 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1962 0.2922 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8776 -1.3360 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1296 -0.0746 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 -1.4084 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0607 -2.8654 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6642 -1.5701 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9295 -2.8415 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3168 -1.4866 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5512 -3.6698 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 -4.2554 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 -2.6097 -3.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 -3.6804 -3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 -1.4222 -4.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 -0.7443 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 -2.2045 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -2.7037 -3.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 0.1654 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 -0.4280 -4.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -1.1489 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 -1.5558 -3.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 0.7432 -4.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 0.3723 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 2.4966 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 1.8794 -2.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4232 2.1009 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 0.3610 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 0.5326 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8877 -1.0504 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 1.6790 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2964 0.4073 3.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -0.3026 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -1.9454 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0999 1.5813 3.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 2.2610 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 4.4863 2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 3.8650 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 4.3081 3.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0877 5.0433 4.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8632 3.0504 5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6914 1.6957 6.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1245 1.1757 4.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7082 2.5722 4.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1407 4.1516 3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1441 3.5482 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0332 1.4546 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7531 1.1943 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 0.1121 2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1879 -1.6478 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1306 -0.0058 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5081 -1.1304 2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8843 -3.0799 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5716 -2.7921 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7175 0.1095 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4059 -0.0789 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3081 0.4220 -3.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1768 -0.9918 -3.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0009 -2.5532 -2.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4315 -1.4186 -4.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1969 -0.9844 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6973 0.0101 -2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2739 -1.9454 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2134 -2.9848 -2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0821 -1.6383 -3.6243 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 43 41 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 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END