HMDB0032291 RDKit 3D Geranyl 2-methylbutyrate 43 42 0 0 0 0 0 0 0 0999 V2000 5.2166 2.0568 0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8241 1.4808 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 0.1222 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5758 0.1625 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 -0.6008 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5906 -0.0634 0.6318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4984 -1.8767 -0.3437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -2.6155 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 -1.9401 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -1.5563 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 -1.8368 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 -0.9199 -1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 0.4513 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 0.6154 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 0.9711 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1036 1.1989 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9008 1.1392 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 2.8766 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5877 2.5236 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 1.2609 1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 1.4556 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2803 2.1643 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 -0.4857 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 -0.8448 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 0.8637 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 0.4489 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -2.9907 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5445 -3.5472 -0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -1.7327 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -2.9167 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 -1.8477 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -1.1872 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 -1.0044 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -1.5724 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 1.2321 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2183 0.7021 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 0.4657 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 2.0061 -1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 1.4819 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1377 0.2314 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4663 0.2164 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 2.0072 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 1.4041 2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 M END