HMDB0245711 RDKit 3D 2,6-Di-tert-butyl-4-methylene-2,5-cyclohexadienone 38 38 0 0 0 0 0 0 0 0999 V2000 0.0090 3.5916 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 2.3010 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 1.5648 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 0.2774 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 -0.4743 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -1.6036 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -1.0041 -1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6861 0.4613 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -0.4524 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 -1.7005 -0.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 0.2691 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5271 -0.5040 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -1.6061 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 0.3675 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -1.0656 -1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 1.5575 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 4.0797 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 4.1590 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 2.0969 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -2.5417 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 -1.3803 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7884 -1.7455 1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 -0.4127 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 -0.8436 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 -2.0539 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 -0.0928 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 1.2540 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 0.9052 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 -2.5695 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 -1.7820 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0945 -1.3102 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 1.2162 -0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7857 0.6930 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6445 -0.2156 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1537 -2.0796 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -1.0229 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 -0.4413 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 2.1081 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 4 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 11 16 2 0 16 2 1 0 1 17 1 0 1 18 1 0 3 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 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 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 M END