HMDB0113645 RDKit 3D PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) 154153 0 0 0 0 0 0 0 0999 V2000 1.9753 -9.0542 2.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 -8.2304 3.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1093 -6.7585 2.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 -6.2480 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 -4.7405 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 -4.0978 3.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 -3.4609 2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -3.3031 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 -3.9479 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0429 -4.8937 -0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 -5.4854 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -5.3124 -2.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -4.6727 -2.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3944 -3.9925 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 -2.5852 -2.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4616 -2.0412 -3.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -2.6385 -3.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -4.0239 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 -4.5525 -3.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 -3.8529 -2.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 -3.9990 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -3.4026 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 -3.8929 0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -2.2536 0.2572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 -1.3424 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 -0.5717 1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5081 0.2416 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 1.1151 0.0967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 2.1388 -1.0960 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8731 1.3584 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2299 2.8746 -1.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 3.3448 -0.3296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 2.6855 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0944 3.5958 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2946 2.8462 1.0538 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 3.6277 1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 -1.2279 1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 -0.6547 2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 0.4493 2.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6867 -1.1727 2.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -0.1283 3.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 0.1387 4.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 1.3444 5.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 2.5841 4.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 2.9371 4.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 3.9024 3.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 5.2782 3.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 5.9035 2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 7.2615 2.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 7.7239 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 6.8217 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 7.3305 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7951 6.4016 -2.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 5.7111 -2.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 5.7756 -1.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 4.5194 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 3.2992 -2.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9321 3.2611 -3.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 3.9726 -4.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6006 3.4636 -5.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 1.9921 -5.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0601 1.8082 -6.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -9.8966 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7619 -9.4833 2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 -8.4076 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -8.5367 2.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -8.3697 4.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -6.2159 3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -6.5906 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6706 -6.3618 4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 -6.7586 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 -4.6964 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -4.3680 3.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 -4.1514 4.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 -3.0033 2.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -2.1988 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 -3.7059 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3471 -3.5816 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -5.3183 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -5.2435 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -6.6147 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -5.7672 -3.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -4.6142 -4.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7311 -3.9159 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 -4.5063 -2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 -1.9391 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6447 -0.9352 -3.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 -2.3953 -5.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -1.9713 -3.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 -4.7915 -4.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 -5.6990 -3.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 -2.7339 -2.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -4.1004 -3.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 -5.1263 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 -3.6385 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 -1.8985 2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -0.6316 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 0.3048 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 0.7838 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 -0.4495 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 3.1486 -2.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 1.8276 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 2.4031 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6437 3.9742 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 4.4610 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0711 1.9341 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1247 3.9402 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 4.5301 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 3.0324 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -2.0642 3.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 -1.4149 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5847 0.7700 3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4459 -0.5460 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 0.2730 5.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0357 -0.7420 5.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 1.4848 6.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 1.1342 5.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 3.4131 5.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 2.5407 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 2.0519 4.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 3.4055 5.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 3.4873 2.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 4.0387 4.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 5.3380 3.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 5.8666 4.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 5.1483 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 5.9403 3.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 7.9599 3.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 7.3856 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 8.7123 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 7.8644 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 6.8686 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 5.7597 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 8.2779 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6981 7.6541 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 6.3031 -2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6861 5.0641 -3.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 6.6012 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8806 6.1730 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5268 4.7703 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8674 4.2167 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1588 2.4717 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 2.9764 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1964 2.1713 -3.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9171 3.6075 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7177 5.0485 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6869 3.6906 -4.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 3.5191 -4.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5678 4.0637 -6.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8269 1.3635 -4.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9502 1.6476 -6.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9645 0.9718 -7.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8898 1.5152 -5.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3233 2.7460 -6.8181 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 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 1 0 44 45 1 0 45 46 1 0 46 47 1 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 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 31101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 62154 1 0 M END