HMDB0287334 RDKit 3D PC(18:3(9,11,15)-OH(13)/20:3(5Z,8Z,11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 4.2370 -6.4661 -1.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 -6.6576 -3.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 -6.6146 -4.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 -5.7414 -5.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 -5.7501 -6.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -4.4092 -6.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -3.3795 -6.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -4.2003 -5.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 -3.0379 -5.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -2.9123 -4.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 -1.7818 -3.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 -1.5214 -2.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -2.5559 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -2.9241 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -1.7133 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 -1.1956 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 -0.0709 1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 1.1703 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 1.1702 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 0.2829 0.7873 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 2.2412 -0.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 2.4358 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 3.7081 -1.5945 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9366 3.9792 -1.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 2.9119 -2.7765 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 3.0489 -3.2337 P 0 0 0 0 0 5 0 0 0 0 0 0 7.0615 2.6211 -4.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 4.5857 -3.0039 O 0 0 0 0 0 1 0 0 0 0 0 0 7.7821 1.8852 -2.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0953 0.6845 -2.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -0.4547 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7604 -0.2547 -0.2361 N 0 0 0 0 0 4 0 0 0 0 0 0 6.7148 0.6235 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0301 0.2645 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5463 -1.5340 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 4.7198 -0.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 5.3223 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2511 4.9199 -2.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0046 6.3592 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 5.6947 0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 6.5926 1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6549 6.9137 0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8759 6.5666 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 5.7741 2.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 6.4794 3.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 5.9263 3.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 4.5664 3.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9304 4.5621 2.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0276 3.9473 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2588 3.1986 3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5115 1.7109 3.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6745 1.4695 2.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8725 -0.0297 2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1564 -0.7409 3.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4188 -2.1807 3.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3568 -3.0397 2.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8905 -2.8114 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -7.0044 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 -6.9139 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -5.3883 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 -7.6291 1.1884 3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6963 1.2864 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6257 2.0071 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6068 1.7961 3.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6472 -0.1945 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8589 -0.3736 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0123 -0.2164 4.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2982 -0.5795 4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3759 -2.3794 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6782 -2.5717 4.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6360 -4.1463 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4306 -3.0113 3.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8762 -2.3566 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6127 -2.2550 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7305 -3.8199 0.9632 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 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 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 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 28 -1 32 1 M END