HMDB0037491 RDKit 3D Liquiritin apioside 69 73 0 0 0 0 0 0 0 0999 V2000 4.7560 -4.7477 -0.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5401 -3.5238 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 -3.0711 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -1.8851 1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.1066 1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -0.2642 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 0.4770 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 0.3505 1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 1.0358 2.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 1.9303 1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5828 3.2098 2.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9994 4.2101 1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 4.5857 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1832 5.0403 0.9317 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 3.7920 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1456 4.8655 0.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 2.7784 1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8057 3.2838 2.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 1.5146 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 0.8856 0.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 -0.4286 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 -0.5092 -0.4105 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6618 -0.9376 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -2.0681 -1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3995 -3.0979 -0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 -2.5365 -2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9914 -2.9876 -3.5909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 -1.3926 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 -2.4094 0.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -0.5018 2.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -1.2181 2.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 -1.0047 0.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 -1.2851 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 -0.3303 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 -0.6128 -2.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0239 0.3954 -2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 -1.8653 -2.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2852 -2.8143 -2.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -2.5405 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -2.8260 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9899 -3.8648 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 -2.2398 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -0.1736 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.1114 -0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 2.0585 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 5.1148 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 3.7700 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 5.4415 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 4.9042 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 3.3022 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 5.5663 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 2.6651 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 2.5771 3.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 0.8771 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8142 -0.7935 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5981 -1.2547 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 -0.1185 -2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0848 -2.7798 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 -1.7052 -3.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -3.4071 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8287 -3.1705 -3.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -0.9150 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 -2.5542 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.6064 3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -1.8974 3.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3749 0.6463 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 0.9945 -3.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 -2.1180 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2319 -3.8206 -2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 24 28 1 0 28 29 1 0 8 30 1 0 30 31 2 0 4 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 38 39 2 0 39 2 1 0 31 5 1 0 39 33 1 0 19 10 1 0 28 21 1 0 3 40 1 0 3 41 1 0 4 42 1 0 6 43 1 0 7 44 1 0 10 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 18 53 1 0 19 54 1 0 21 55 1 0 23 56 1 0 23 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 27 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 34 66 1 0 36 67 1 0 37 68 1 0 38 69 1 0 M END