HMDB0037490 RDKit 3D Neoliquiritin 52 55 0 0 0 0 0 0 0 0999 V2000 2.5740 -0.5152 -3.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7103 -0.3880 -2.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0479 -0.3947 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 0.4215 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3491 0.3094 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 0.7550 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 0.6224 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8491 0.0451 1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0992 -0.0803 2.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6611 -0.4008 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4139 -0.2647 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 0.0208 0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7036 -0.0292 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 0.1152 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7306 0.0668 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 0.2201 0.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 0.2008 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 -0.8769 1.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0373 -1.0159 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 -2.3449 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8881 -2.3920 -0.0319 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9533 0.1342 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9936 -0.2987 1.5324 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.2737 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9742 2.4277 1.1535 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 1.5059 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 2.3144 -0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -0.1347 -1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -0.2819 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -0.2323 -1.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 0.1057 -2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 -1.4321 -1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8377 1.4701 -0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 1.2110 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 0.9727 3.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -0.5012 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4974 -0.8551 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 -0.6375 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 0.2772 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 0.0419 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7874 -1.0422 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 -3.1433 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -2.4236 1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6595 -2.5135 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4404 0.5114 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8569 0.0683 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1371 1.1034 2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8017 2.8158 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 2.0672 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 1.7473 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -0.1857 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 -0.4403 -3.1907 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 8 10 1 0 10 11 2 0 4 12 1 0 12 13 1 0 13 14 2 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 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 15 28 2 0 28 29 1 0 29 30 2 0 30 2 1 0 11 5 1 0 30 13 1 0 26 17 1 0 3 31 1 0 3 32 1 0 4 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 14 39 1 0 17 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 28 51 1 0 29 52 1 0 M END