HMDB0032541 RDKit 3D 4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one 34 34 0 0 0 0 0 0 0 0999 V2000 4.9200 0.1520 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -0.5260 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 0.1516 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -0.4769 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 -1.7552 0.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1642 -0.0301 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 1.1887 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 2.2625 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 1.6258 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 0.7026 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 -0.3117 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -0.9946 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 -2.2391 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7906 -1.3383 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -0.1596 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 1.2637 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.0554 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 -1.5707 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6184 1.1704 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 2.5130 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0843 3.2264 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1169 2.1196 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 1.8061 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 2.6486 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 1.2962 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 0.2379 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 0.2442 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2027 -1.0924 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -3.0462 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -2.6417 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -1.9869 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -0.5148 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -1.6444 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 -2.2253 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 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 1 0 12 13 1 0 12 14 1 0 12 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END