HMDB0094223 RDKit 3D DG(20:0/i-24:0/0:0) 144143 0 0 0 0 0 0 0 0999 V2000 17.0662 -0.8259 -4.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8134 -0.8850 -2.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9701 -0.3941 -1.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1216 -0.3805 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3129 0.2648 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9814 -0.1288 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8981 -0.1811 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5321 -0.4951 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1097 0.5310 1.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7713 0.1999 2.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6569 0.1083 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4843 1.4005 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3713 1.3753 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0184 1.1129 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7278 2.1654 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 2.0401 1.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1562 2.1341 1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7609 1.1675 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -0.2364 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8378 -0.3993 1.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9416 -1.4075 2.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 0.4887 2.1708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 0.5003 3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 -0.3465 2.9976 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9556 -1.8119 2.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -2.1000 1.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 -0.0387 1.9247 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 0.2390 2.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 0.2220 3.3853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 0.5583 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -0.2703 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 0.0287 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6732 -0.1724 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0489 -1.5775 -0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5031 -1.7742 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3971 -1.4105 -1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 -2.2284 -2.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8762 -1.8955 -3.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3227 -2.0635 -3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2495 -1.3331 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1559 0.1624 -3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1241 0.8669 -2.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5289 0.4832 -2.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4867 1.2530 -1.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8876 0.9071 -2.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9038 1.5513 -1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2596 1.1832 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3707 0.9923 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5745 -0.2605 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6532 -0.3863 2.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4983 -0.3903 3.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5662 0.6249 2.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1516 -0.5370 -4.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3392 -1.8367 -4.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8539 -0.0746 -4.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4774 -1.8970 -2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9844 -0.1233 -2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2261 0.6758 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8867 -0.9915 -2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3492 -1.4864 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2131 0.0204 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9436 0.4202 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2499 1.4043 0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0754 -1.1967 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6643 0.4271 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7538 0.6946 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0188 -1.1094 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 -1.5002 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8124 -0.5404 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0253 1.5334 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8029 0.6538 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7722 -0.7454 2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5101 1.0141 3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7529 -0.2010 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8584 -0.7141 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4477 2.2813 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4354 1.5251 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2876 2.3831 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 0.5655 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 1.0053 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 0.1228 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7902 3.2016 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5632 2.1904 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 2.8011 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 1.0611 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3896 2.0783 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9668 3.2115 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 1.3334 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 1.3802 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 -0.4932 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 -0.9316 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 1.6006 3.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 0.3133 4.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 -0.3007 3.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 -2.3299 2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 -2.2432 3.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -1.3382 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2832 1.6262 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5354 0.5525 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -0.1484 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -1.3404 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9003 -0.5659 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0954 1.0919 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2152 0.0440 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 0.5790 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 -2.3117 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5033 -1.8276 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7937 -1.1638 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6492 -2.8455 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3009 -0.3331 -1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4157 -1.6338 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9845 -2.2488 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3102 -3.3255 -2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4162 -2.4263 -4.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6102 -0.7883 -4.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6730 -1.8527 -4.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5754 -3.1676 -3.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3046 -1.5410 -3.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4150 -1.7103 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3725 0.4942 -4.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1152 0.4797 -2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9084 0.5695 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9446 1.9458 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6954 0.7941 -3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7259 -0.5997 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2412 1.2467 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2747 2.3512 -2.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0181 -0.2124 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0156 1.0960 -3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7042 2.7143 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8728 1.5271 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1014 1.9285 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9534 0.2369 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7219 1.9021 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9814 0.9557 2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3483 -1.0912 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0814 -0.5676 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1811 -1.4056 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3809 -1.0181 3.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8379 0.6485 3.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8786 -0.8209 4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3645 1.1789 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6057 0.1395 2.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8392 1.3762 3.2248 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 1 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 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 24 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 1 0 38 39 1 0 39 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 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 51139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 52144 1 0 M END