HMDB0037640 RDKit 3D 2-Methyl-4-phenyl-2-butyl 2-methylpropanoate 39 39 0 0 0 0 0 0 0 0999 V2000 -4.0439 1.7399 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 0.7822 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 1.5732 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -0.2123 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3359 -1.4592 -0.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 0.1064 -0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 -0.8344 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -1.7904 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -1.6699 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -0.0976 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -1.0565 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 -0.3207 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 0.0736 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 0.7753 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4499 1.0867 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8081 0.7029 1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 0.0094 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1255 1.1541 -2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 2.4280 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 2.2841 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1187 0.2591 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 0.8675 1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 2.2727 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1681 2.1098 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.7179 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 -1.9801 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 -1.3059 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 -2.0662 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2005 -1.0512 -2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 -2.5466 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.5216 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 0.5693 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 -1.7437 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -1.6889 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 -0.1429 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 1.0934 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 1.6274 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 0.9314 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -0.2834 2.4012 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 M END