HMDB0282251 RDKit 3D PS(20:2(11Z,14Z)/20:3(5Z,8Z,14Z)-O(11S,12R)) 137137 0 0 0 0 0 0 0 0999 V2000 15.8927 2.9639 -1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7687 1.9860 -1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6034 2.6955 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5131 1.6882 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 2.2396 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 2.7121 1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2713 3.9177 1.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7524 4.9776 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5116 5.4883 1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 5.4915 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0465 5.0057 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9578 3.9114 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5387 2.8158 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6494 1.6365 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 0.9702 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3829 -0.2264 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 -1.0272 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 -0.2916 -2.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 0.1794 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -0.9955 -0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.8421 0.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -2.2702 -1.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -3.4010 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 -3.3444 -0.3841 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4163 -4.6969 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -5.6695 -0.7723 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -7.2101 -0.3034 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7059 -8.0993 -0.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 -7.8916 -1.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -7.2345 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9828 -8.4661 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -8.4783 2.6073 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6936 -8.3181 3.6457 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4344 -9.7482 2.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 -10.0636 2.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 -10.6075 3.8464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -3.2043 -1.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.2315 -1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 -1.4390 -0.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -2.1038 -3.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 -1.4193 -2.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 -2.1773 -1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 -2.5959 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 -2.1868 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 -1.2335 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5359 -0.5787 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8121 -0.6618 -0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8244 -1.4388 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9091 -0.4938 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6173 0.2187 -0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6618 0.9589 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1398 1.9275 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5843 1.8032 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4616 2.7506 1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1108 4.1156 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7950 4.4393 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4839 5.8011 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9063 6.8925 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4009 6.7649 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4473 3.9069 -2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6727 2.6074 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2689 3.2007 -0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0812 1.0945 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4618 1.6674 -2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8946 3.0555 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2790 3.4955 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1782 1.2667 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8582 0.8006 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6000 1.3154 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7347 2.8644 -0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8841 1.9811 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4762 4.2280 2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5959 4.7731 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4841 5.8555 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6170 5.8948 2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4993 5.9186 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 5.8503 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8597 4.4992 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0247 4.3413 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 3.5696 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8927 3.2312 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 2.4963 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 0.9099 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 1.9658 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 0.5688 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5706 1.6015 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 0.0550 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 -0.9348 0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -1.9062 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 -1.4523 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.0013 -2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2887 0.5812 -2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 0.8634 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 0.7716 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -4.2936 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -3.6078 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -2.5893 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -4.6575 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0743 -4.8492 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 -8.8709 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -8.5164 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -9.3167 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 -7.6295 2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 -9.1115 3.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2105 -8.2966 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 -10.2787 4.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8132 -1.5165 -3.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6126 -3.1090 -3.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -1.3010 -3.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4384 -0.4197 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7258 -1.9235 -2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6706 -3.2223 -2.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 -3.3921 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -2.6436 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6744 -1.7483 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5436 -0.4331 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9012 0.0800 -1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1073 -0.0773 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -2.1398 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4189 -2.0309 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4870 -0.7800 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7573 1.2931 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6417 1.5809 2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7433 2.9177 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9458 0.8204 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5238 2.5174 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0603 4.3705 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6021 4.8161 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9036 4.3543 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4929 3.6691 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3761 5.8947 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0051 5.8873 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6204 7.8600 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3407 6.7793 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8285 7.7950 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5707 6.3235 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8461 6.1532 -0.7102 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 1 0 9 10 2 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 51 49 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 31101 1 0 31102 1 0 32103 1 6 33104 1 0 33105 1 0 36106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END