HMDB0113432 RDKit 3D PE-NMe(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) 128127 0 0 0 0 0 0 0 0999 V2000 5.3643 -7.3584 3.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4476 -6.1569 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -6.5094 2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 -6.2534 3.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9573 -5.5928 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 -5.1164 5.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -3.8956 5.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -2.6945 5.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 -1.6287 4.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -1.0668 3.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -1.3823 3.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 -1.7727 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.9309 1.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 -3.3948 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -2.3675 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 -3.0620 -1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -2.2215 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 -1.0428 -3.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -0.4786 -4.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 -0.4471 -2.8076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9437 0.7068 -3.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5108 0.5244 -3.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.5656 -4.6512 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 -0.7829 -4.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -0.0087 -4.3942 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 -1.8750 -5.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 -1.8960 -5.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 -0.6287 -6.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -0.7459 -6.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8796 0.0836 -5.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 1.2945 -5.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9623 2.4494 -5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6032 3.3286 -5.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6825 3.2344 -3.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1033 4.4937 -3.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7284 5.3379 -2.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 5.2936 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0276 4.2568 -2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5427 3.4318 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2117 3.4911 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5669 2.1963 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2054 2.3081 2.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5739 0.9879 2.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 0.9229 4.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 1.8939 -2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3075 2.1979 -2.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 3.5242 -1.0502 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7584 4.7863 -1.7871 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4661 3.2965 0.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 3.8470 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 3.6980 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 4.0187 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 3.8611 2.9402 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 4.1576 3.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -8.1115 3.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5419 -7.8937 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 -7.0128 3.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 -5.7354 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -5.3116 3.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 -7.0588 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 -6.6195 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 -6.1857 5.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 -4.6796 4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8703 -5.9035 5.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -3.7339 6.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -2.8628 5.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -2.2593 6.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 -1.3060 5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.2805 3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -0.4075 2.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -2.1436 3.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 -2.0289 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 -0.8589 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 -3.7749 2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -2.7391 2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 -4.2816 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5694 -3.7225 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 -1.5771 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 -1.9852 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 -3.5049 -2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 -3.9586 -1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 -2.8590 -3.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 -1.8693 -2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 0.9612 -4.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9081 0.4637 -2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 1.4574 -4.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 -2.8695 -5.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -1.7937 -6.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 -2.0025 -4.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4253 -2.7683 -6.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4361 -0.8576 -7.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 0.2707 -6.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 -1.6208 -6.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9488 -0.0865 -5.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 1.1542 -4.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2027 1.4198 -5.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8976 2.5244 -6.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1055 4.1738 -5.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6014 2.8722 -3.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 2.4625 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0503 4.7425 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1386 6.2528 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1159 5.6241 -0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6008 6.2664 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3687 4.1726 -3.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2537 2.6794 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6323 4.3411 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1897 3.5381 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 2.0650 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2738 1.3731 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5309 3.1614 2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1551 2.4123 2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6689 0.8353 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2775 0.1762 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5131 1.8018 4.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4813 0.0274 4.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0132 0.9302 4.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 2.8065 -3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 1.7404 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 2.4509 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 4.3691 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 2.6580 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 3.3739 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 5.0984 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 2.9028 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 5.2645 3.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 3.7865 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 3.6603 4.4755 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 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 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 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 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 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 M END