HMDB0007842 RDKit 3D DG(24:1(15Z)/22:2(13Z,16Z)/0:0) 144143 0 0 0 0 0 0 0 0999 V2000 -17.8482 -1.9898 3.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5163 -2.9382 2.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1327 -2.3377 0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9316 -1.4994 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8679 -0.2222 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8697 0.7599 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5738 1.9437 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2113 2.5203 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0747 2.8531 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1986 2.4013 -1.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1385 1.4241 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3560 0.2279 -2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4545 -0.9099 -2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0559 -0.8581 -2.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1120 0.0619 -1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6917 -0.0851 -2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1267 -1.4543 -2.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7563 -1.6147 -2.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6765 -0.7784 -2.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4182 -0.9691 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -0.1454 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 -0.4063 -0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 -1.2808 -1.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8456 0.2419 -0.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 0.0014 -0.9886 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0993 1.1457 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 1.3293 -2.9374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 -0.6495 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.0463 1.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 1.1043 1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 1.7735 0.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 1.5913 2.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 2.7828 2.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 2.8499 2.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 1.9877 2.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 0.5282 2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9998 0.0442 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -0.1264 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2623 0.8702 0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1828 1.0402 1.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1973 2.1365 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1139 1.9373 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9575 0.6934 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8742 0.5762 -1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6855 -0.6212 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9971 -0.6405 -0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8162 0.5547 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6798 0.9074 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7927 0.0977 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9761 -0.1633 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9141 -0.9598 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5006 -2.4083 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5453 -3.0752 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2215 -4.5254 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1961 -0.9933 2.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0394 -1.8660 4.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7698 -2.4117 3.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7347 -3.7005 2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4114 -3.6383 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0043 -1.7698 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9666 -3.1836 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0630 -2.1459 1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6209 -1.2908 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9532 -0.3159 2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8142 0.1636 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9240 0.4841 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4425 2.5791 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2803 3.5386 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4081 2.0246 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8290 3.5776 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1324 2.6884 -2.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1608 1.8953 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2768 1.0641 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5159 0.5595 -3.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4202 -0.1667 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5046 -1.2953 -1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9291 -1.8335 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6635 -1.9386 -2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0621 -0.7300 -3.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3160 1.1469 -2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0831 -0.0903 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7921 0.2205 -3.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0908 0.6963 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7772 -2.1414 -2.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2426 -1.8619 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5133 -2.6930 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8338 -1.3103 -3.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8823 0.3229 -2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7556 -0.9737 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -2.0199 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3438 -0.6752 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 -0.3351 0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 0.9488 -0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 -0.8184 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 2.1182 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 0.9626 -2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 2.2686 -3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -1.6921 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.8226 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 1.9574 3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 0.7703 3.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 3.1503 3.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 3.6237 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 3.9245 2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 2.8068 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 2.3757 2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 2.1221 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7753 0.0681 3.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0224 0.0683 3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3857 -0.9605 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 0.6899 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7372 -1.1360 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9203 -0.5194 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8737 0.6189 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 1.9005 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 1.1318 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8461 0.0961 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 2.1677 2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7248 3.1409 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4809 1.9056 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7889 2.8282 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 -0.2067 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5071 0.6902 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3466 1.5011 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1289 0.3831 -1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1334 -1.5913 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4526 -1.6055 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2041 1.4902 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 0.4594 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1325 1.9355 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0157 1.2478 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1933 0.6400 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4536 -0.8795 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4239 0.8478 -0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7674 -0.6060 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0013 -1.0575 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4310 -0.4557 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5363 -2.5382 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 -2.9538 -2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5653 -2.9292 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5356 -2.5928 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4360 -4.8234 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1395 -4.7196 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7689 -5.1932 -0.6453 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 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 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 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 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 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 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 6 26 95 1 0 26 96 1 0 27 97 1 0 28 98 1 0 28 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 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 54144 1 0 M END