HMDB0037712 RDKit 3D [2,2-Bis(2-methylpropoxy)ethyl]benzene 44 44 0 0 0 0 0 0 0 0999 V2000 4.5335 1.0053 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 0.9356 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 1.5136 -2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 -0.5383 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -0.8084 -1.4155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -0.3026 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 0.6944 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 1.2787 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 2.4336 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 2.9688 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 2.3507 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7687 1.2068 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 0.6938 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -1.2643 -0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 -1.2383 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 -2.2824 1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -3.6734 1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -2.1374 1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 1.9309 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 0.8710 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 0.1414 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.5054 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 0.8637 -2.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 2.5607 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 1.4628 -2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 -0.9612 -1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -0.9640 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8871 0.2677 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 0.1790 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 1.5253 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 2.9313 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 3.8722 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3948 2.7600 1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 0.6878 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 -0.1995 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.2379 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -1.3195 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 -2.2703 2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -3.7030 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 -3.9630 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 -4.3777 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2515 -1.2850 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3267 -3.0508 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 -2.0633 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 13 8 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 M END