HMDB0040953 RDKit 3D Tussilagone 62 63 0 0 0 0 0 0 0 0999 V2000 0.8890 -1.9645 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 -1.0556 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -0.2911 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2068 -0.5505 -0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.4008 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 1.5538 -0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5815 0.0058 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 0.8756 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 2.2827 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 0.4698 -0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8538 0.7102 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0981 -0.4722 -1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -0.6699 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8224 -2.0520 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3116 -2.2396 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1287 -3.1558 -1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 -0.2494 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.7740 1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 0.3913 2.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 1.6042 1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 2.6627 1.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9928 1.2563 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 1.7110 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 3.2107 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2161 1.0232 1.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 0.2164 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1158 -0.5199 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5311 0.1121 -0.5586 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -2.4979 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 -2.1562 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.8048 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -1.0136 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8416 2.3115 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 2.8736 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 2.7393 -0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 -0.5845 -1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 1.0602 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 -0.0559 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 0.7214 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3370 1.7249 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 0.4044 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.3517 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 0.0281 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -2.2285 -2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 -3.1737 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8921 -1.4358 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 -2.4511 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 -4.1094 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 -3.1106 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -3.2985 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9568 -0.6350 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 -1.6105 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 0.3233 2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2786 0.4072 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 1.6961 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8346 1.4588 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 3.6019 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 3.4907 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8683 3.6463 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 -0.7177 2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0237 0.1213 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5061 -1.4747 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 3 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 13 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 23 25 1 0 25 26 1 0 26 27 1 0 26 28 2 0 18 2 1 0 22 17 1 0 1 29 1 0 1 30 1 0 3 31 1 0 7 32 1 0 9 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 27 60 1 0 27 61 1 0 27 62 1 0 M END