HMDB0113189 RDKit 3D PE-NMe(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -4.8351 -6.9791 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7523 -6.4650 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 -5.2732 -1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 -4.0990 -1.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9514 -3.7342 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1724 -2.8422 0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -2.2375 1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9136 -2.2907 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 -0.9074 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 -0.4842 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 -1.4300 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4643 -1.4055 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -1.0577 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1717 -0.6502 -3.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 0.7564 -3.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 1.0225 -4.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 0.0576 -5.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -0.2114 -5.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 0.9116 -5.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 1.8775 -4.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 3.0150 -4.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 3.9186 -3.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9195 4.7510 -3.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 3.8404 -2.2432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7703 4.5342 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 3.6126 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 4.2869 1.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 3.5356 2.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 2.2973 2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 4.0986 3.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 3.1177 4.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 2.4851 5.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 1.5508 6.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.3820 5.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 -0.6410 5.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -1.6917 4.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -2.9588 4.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 -3.4163 3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 -2.7252 1.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 -2.8472 0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -1.9084 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 -0.4925 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 -0.0482 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 -0.9157 1.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2179 -0.4002 1.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 -1.2720 2.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 5.3804 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 4.5882 -1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 5.5365 -1.5634 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4468 6.0554 -0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 6.8700 -2.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 4.6005 -2.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4653 5.0919 -1.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 4.2063 -2.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 2.8473 -2.0453 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3338 1.9466 -2.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7907 -6.2626 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 -7.0136 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1156 -7.9974 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7106 -6.3132 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7527 -7.3060 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 -5.3715 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0508 -3.2917 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5868 -4.6772 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5729 -3.2842 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2831 -2.6326 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8589 -1.5564 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 -2.5396 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -3.0359 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7798 -0.1161 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 0.5884 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -2.4859 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2901 -1.1431 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 -1.7008 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 -1.0705 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -0.7002 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 -1.3899 -3.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 1.5253 -2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 2.0949 -4.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 0.5402 -6.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -0.8756 -5.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 -0.7463 -4.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -0.9884 -5.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0187 0.5040 -5.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 1.5194 -6.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 2.1848 -3.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 1.2705 -3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 2.6688 -4.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 3.5389 -5.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 5.2798 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 2.7961 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 3.1417 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 4.9124 4.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 4.6249 3.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 2.3820 4.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 3.7008 5.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 1.9491 4.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 3.2538 5.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 2.1223 7.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 1.1884 6.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -0.1839 6.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 0.5903 5.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1586 -0.0432 4.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5848 -1.0288 5.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 -1.9119 5.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 -1.1643 4.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 -3.5927 4.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 -4.4256 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 -3.3134 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -1.7129 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 -3.9140 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -2.1433 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.2639 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 0.1058 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1752 0.9881 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5794 -0.1461 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -1.1381 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 -1.9188 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 -0.3622 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1274 0.6234 2.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 -1.9018 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.9082 3.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5165 -0.6460 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 6.1413 -1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 5.9140 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 7.4975 -2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6414 6.1208 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 5.0048 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5066 4.6150 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 4.2038 -3.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 2.7993 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1603 2.4445 -3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7823 1.2917 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 1.2478 -1.8193 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 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 51126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M END