HMDB0284706 RDKit 3D PE(DiMe(11,3)/18:1(12Z)-O(9S,10R)) 131132 0 0 0 0 0 0 0 0999 V2000 15.0151 4.3235 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2674 2.8190 1.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0854 2.5432 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4044 1.1242 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1952 0.2396 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4754 0.7478 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2231 1.1259 -0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3398 1.1111 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1148 0.2363 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2711 0.5366 -0.9889 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 0.9393 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7199 0.1761 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 -1.1275 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -1.0494 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5071 -0.1963 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3246 -0.6001 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 -1.9681 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 -2.4086 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4132 -1.5629 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 -0.5313 -0.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 -1.8935 0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 -1.0223 0.1692 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7598 -0.6740 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 0.2828 0.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3935 1.5632 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.7748 0.5724 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 2.6215 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 2.2715 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 1.2317 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1202 0.7297 -1.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0937 1.5823 -2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6605 2.7796 -1.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3946 2.6083 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5897 1.6845 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5825 2.1991 -1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8158 1.3579 -1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5785 1.2157 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6333 1.9664 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1260 1.6462 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3113 2.3192 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5266 1.4173 1.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7562 1.1777 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3680 0.6169 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6345 -0.0242 2.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4011 0.3511 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3802 -0.7135 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -1.9102 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -3.0188 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -4.1076 -0.8634 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2922 -4.7830 -1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 -3.3182 -1.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -5.3205 0.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -6.4416 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2459 -7.5701 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -8.7364 0.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 4.7808 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8861 4.8244 2.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1500 4.4813 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 2.5186 2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2966 2.3461 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0696 3.0808 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6581 3.0440 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0748 1.1116 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0293 0.6780 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6587 0.1958 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6345 -0.7723 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0051 0.8131 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.5003 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9724 2.1549 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7706 0.7565 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1836 -0.8325 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8298 2.0356 0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8357 0.8494 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0557 -0.0606 2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5452 -1.5705 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2119 -1.7867 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4826 -0.6455 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5334 -2.0968 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -0.1864 -2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 0.8610 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -0.4703 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 0.1487 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -2.0666 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 -2.7551 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 -3.4414 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 -2.4319 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -0.1649 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 -1.5526 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 -0.2098 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 3.4184 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 3.1644 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 3.2254 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 1.8081 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 0.3288 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2368 1.6197 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6171 0.1496 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8854 -0.1272 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 1.8791 -3.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9887 0.9174 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0045 3.6747 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4522 3.1680 -2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8199 3.6264 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7357 2.3876 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3165 0.6597 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0501 1.7404 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9020 3.2512 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1455 2.2446 -2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5127 1.7750 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5685 0.3359 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4802 3.3064 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1563 2.4689 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4169 1.8517 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2717 0.4638 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8254 1.3048 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1732 1.9049 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4512 0.1330 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6455 -0.2382 3.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1494 0.7153 3.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2329 -0.9229 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8491 -1.6429 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9091 -0.9847 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6195 -0.3686 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6627 -1.3621 -1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 -2.2320 -1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 -3.3428 -2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9676 -6.8205 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 -6.2492 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2981 -7.8762 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -7.2318 1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 -8.4479 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 -9.1550 -0.1751 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 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 22 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 11 9 1 0 45 37 2 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 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 6 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 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 42116 1 0 44117 1 0 44118 1 0 44119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 M END