HMDB0035440 RDKit 3D alpha,beta-Dihydroxanthohumol 50 51 0 0 0 0 0 0 0 0999 V2000 0.5731 2.2941 3.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 1.6794 2.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 1.0094 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 0.8982 1.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 0.2284 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 0.1145 1.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1236 -0.3472 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 -1.0615 -0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 -0.1391 -1.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4085 -0.1414 -1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1059 -1.0517 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2535 0.8578 -1.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8088 -0.2407 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -0.8352 -1.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 0.4461 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 0.5637 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 0.0705 -1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5613 1.2727 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 1.3628 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 0.0395 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 -0.5520 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0453 -1.8161 -1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5779 -2.5223 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 -3.8049 -1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -1.9533 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -0.7069 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 2.6692 3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 1.5510 4.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0934 3.1732 3.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 1.3607 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 0.5202 2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 -1.7352 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 -1.7617 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6985 0.5793 -2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1426 -0.5896 0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1509 -1.1899 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6529 -2.0671 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1568 0.7800 -3.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2898 0.8681 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 1.8594 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -0.8910 -2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2457 2.3484 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 0.7665 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 1.9702 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 1.9440 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 -0.0479 -2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0601 -2.2956 -2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1137 -3.8174 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -2.5292 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -0.2480 1.5995 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 1 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 18 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 M END