HMDB0037479 RDKit 3D Xanthohumol 48 49 0 0 0 0 0 0 0 0999 V2000 -0.4280 5.0201 1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 3.7977 0.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 2.6875 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 2.7162 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6533 1.6214 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0298 1.6915 -0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0075 0.4464 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6835 -0.7857 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 -0.6515 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 -1.3831 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -2.3668 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4378 -1.2310 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 0.3964 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -0.7918 -0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 1.4999 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 1.5193 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 2.5877 0.8172 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 0.3920 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 0.4792 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 -0.6314 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0078 -0.4376 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9425 -1.4287 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 -2.6781 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4574 -3.6998 -0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -2.9087 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 -1.8874 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 5.5400 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 5.6692 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 4.8811 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4416 3.6559 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 2.5637 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 -1.0511 -1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -1.5963 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 0.0395 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 -1.8131 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3928 -2.9425 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -3.1114 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5658 -0.9857 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9198 -0.5331 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9508 -2.2271 -0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 -1.5932 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 -0.5813 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 1.4356 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3237 0.5562 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 -1.2411 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1925 -4.6239 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -3.8942 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -2.1209 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 7 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 15 3 1 0 26 20 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 12 40 1 0 14 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 M END