HMDB0114111 RDKit 3D PE-NMe2(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) 131130 0 0 0 0 0 0 0 0999 V2000 -1.2361 0.0408 -9.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 1.5152 -9.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 2.2589 -8.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 1.9948 -7.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 0.6342 -6.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1143 0.5009 -6.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 0.3148 -5.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 0.2133 -4.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -1.0878 -3.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 -2.0604 -3.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5285 -1.9530 -3.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 -3.1372 -4.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 -4.0394 -4.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 -4.0094 -3.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2376 -5.1604 -2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -5.0059 -1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8298 -3.7191 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5238 -3.2988 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -4.1353 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5734 -3.4754 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -2.4001 0.8699 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 -3.9903 2.4027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -3.3648 2.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 -4.1538 2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -3.5602 2.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -2.3014 2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 -1.5993 1.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -1.7192 2.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -0.2840 2.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 0.6424 2.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8956 2.0604 2.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1078 2.9779 3.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 3.6718 2.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 3.6066 1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7975 4.9361 0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8738 5.7302 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 5.4051 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 5.3222 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 4.3052 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0197 3.0519 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 2.8191 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 1.5406 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 1.4740 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8077 0.2410 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 -2.8301 4.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -1.8679 4.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 -1.1197 5.7842 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6536 -1.6863 6.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -1.3246 6.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 0.5545 5.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.1597 5.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 2.6582 5.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 3.2621 6.3342 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 2.8932 6.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1956 4.7109 6.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 -0.4541 -9.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 -0.3079 -11.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 -0.3298 -9.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8014 1.9611 -10.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 1.8136 -10.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 3.3966 -8.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 2.0992 -8.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 2.7289 -6.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8457 2.1560 -7.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8673 -0.2111 -7.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 0.6205 -6.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 0.5683 -7.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 0.2214 -5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 0.9654 -3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 0.3847 -4.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 -1.2160 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 -3.0204 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 -1.9848 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6657 -1.0831 -4.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 -3.1616 -5.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 -4.8953 -5.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 -4.1803 -3.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 -3.0631 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -6.1827 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -5.8982 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2972 -2.8645 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 -3.8330 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 -2.2295 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -3.2170 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 -4.2286 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 -5.1384 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -2.4370 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -5.1566 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -4.2577 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7591 -1.8010 3.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 -2.2815 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -0.1664 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 0.0697 2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 0.2788 2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1321 0.6611 3.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9924 2.3193 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 2.1059 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 3.0701 4.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6172 4.3392 3.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 3.2527 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 2.9120 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 5.2581 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 6.6821 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 6.3661 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2175 4.5814 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 6.1999 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 4.3571 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 2.2068 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 3.0561 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 3.6422 0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 2.8695 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 0.6338 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 1.5597 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 2.3571 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7807 1.5785 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6612 0.3412 2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9115 0.1443 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 -0.6709 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 -2.2591 4.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -3.5855 4.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -1.5021 5.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 0.7704 4.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 0.9690 6.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 2.8899 4.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 3.1180 4.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 2.4469 5.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 2.2348 7.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 3.8232 6.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 5.0469 6.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 5.0862 7.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 5.0992 5.5053 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 26 28 1 0 28 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 23 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 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 28 90 1 0 28 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 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 49121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 M END