HMDB0011628 RDKit 3D Glycyrrhetinic acid 80 84 0 0 0 0 0 0 0 0999 V2000 4.6063 0.3583 -2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 0.1672 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 1.2605 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5793 0.4002 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 1.6867 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 1.6663 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 0.7366 0.1956 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8145 1.2294 1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 -0.6210 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3836 -1.6411 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.7472 1.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 -1.4108 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 -0.2498 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 -0.1367 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -0.9401 -0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -1.2294 -0.4595 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8746 -2.1235 -1.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0358 -1.9628 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5237 -1.5078 1.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3888 -3.1956 0.9115 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 0.0889 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 1.2734 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6131 1.2283 0.2144 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9798 1.6082 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 2.3110 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 2.1303 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 0.8662 -0.2789 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7476 0.9856 -1.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 -0.7721 0.3603 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6663 -1.3158 1.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 -1.9397 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6433 -2.2701 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 -1.1164 -0.2925 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4643 -0.9857 0.7546 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 -0.5333 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 1.2274 -2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 0.5053 -2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2404 0.9237 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3869 2.2464 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 1.1749 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0363 0.5818 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 2.1668 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 2.4828 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 1.3937 -1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 2.6770 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 0.7126 2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 2.3144 1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 1.2795 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -0.7629 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 -2.2244 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 -0.6693 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -0.3726 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 -1.8692 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 -2.9974 -1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7717 -2.5106 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 -1.6072 -2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 -3.4940 0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6479 0.1470 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2517 0.1455 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7788 1.4344 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 2.1775 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 1.1836 1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 2.7340 1.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 1.2011 2.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 3.2790 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7337 2.4608 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 1.9340 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 3.0418 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 2.0358 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7647 0.8540 -2.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 0.2277 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 -2.3755 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -0.7533 2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 -1.0897 2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -2.8579 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 -1.7176 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 -2.5640 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9526 -3.1832 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 -1.3721 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -1.4199 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 1 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 6 9 29 1 0 29 30 1 1 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 2 1 0 29 4 1 0 27 7 1 0 27 13 1 0 23 14 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 8 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 12 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 17 54 1 0 17 55 1 0 17 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 30 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 6 34 80 1 0 M END