HMDB0032220 RDKit 3D Dihydronootkatone 40 41 0 0 0 0 0 0 0 0999 V2000 3.6908 -1.4875 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 -0.3556 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 0.9190 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 -0.3870 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -1.7897 -0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 -1.8430 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -0.5489 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5883 -0.1829 -1.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 -0.7893 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 0.4430 0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 1.4378 1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 2.4912 1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1733 1.0028 1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 0.6105 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 1.8654 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 0.4779 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 -1.4409 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 -2.4706 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 1.7184 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 1.2174 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 0.7024 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 0.0149 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -2.4118 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 -2.1856 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -2.3917 -1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 -2.5271 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 0.7657 -1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 -0.2883 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 -0.9929 -1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 -1.5531 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -1.1899 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 0.8542 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2568 0.1984 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 0.1619 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 1.8790 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 1.7141 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 2.2639 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 2.6407 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.0246 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 1.4817 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 4 1 0 14 7 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 13 34 1 0 13 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END