HMDB0036624 RDKit 3D 4-Deoxyhumulone 55 55 0 0 0 0 0 0 0 0999 V2000 -1.9842 4.8804 -1.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 4.1055 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 4.7797 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 2.8638 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 2.0145 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.7508 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 -0.3058 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -0.1577 0.0747 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 -1.4918 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9006 -2.6057 -0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -3.3924 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7332 -3.5586 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 -4.3787 1.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7501 -2.9662 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3383 -1.6264 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9843 -2.7525 -1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 -0.5927 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 -0.7204 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -1.8071 -0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 0.3210 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -0.1373 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 -1.3707 0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0193 0.9535 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6493 0.5775 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5144 1.5840 0.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 5.9442 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9607 4.4643 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 4.7340 -2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 4.5632 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 5.9034 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 4.5206 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 2.4254 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 2.5378 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 1.7652 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 0.6094 0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -3.1837 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7485 -2.0864 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7311 -3.8539 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2912 -4.2645 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9102 -5.4297 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6972 -4.0517 2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -3.1527 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 -3.5092 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9466 -1.9111 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 -3.5478 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 0.5944 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 1.2586 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -0.3632 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 -1.0726 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -2.0342 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -1.9085 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8547 1.7958 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0331 0.5463 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7809 1.2701 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 2.4699 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 9 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 17 24 2 0 24 25 1 0 24 6 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 14 44 1 0 16 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 25 55 1 0 M END