HMDB0038255 RDKit 3D Geranyl 2-ethylbutyrate 46 45 0 0 0 0 0 0 0 0999 V2000 -3.4757 2.7650 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 1.4950 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 0.2310 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8674 0.1169 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8995 1.1434 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 -0.8752 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 -1.6186 1.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -1.1126 -0.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -2.1822 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 -2.1707 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -2.0004 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -2.0120 -1.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 -1.8293 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6743 -0.4927 1.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -0.2567 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2279 0.7388 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 1.6993 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 0.8963 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 3.3503 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 2.6904 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 3.4622 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4552 1.4790 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 1.4056 -0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 0.0979 -1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 0.1256 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 -0.8854 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1474 1.2216 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8672 0.7577 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 2.1090 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 -3.1408 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -2.0705 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -2.3150 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 -1.0807 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -2.1610 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 -2.8338 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -2.6112 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 -1.9319 1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 0.3458 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 -0.3498 2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 -0.9287 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 2.3331 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 2.4087 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 1.1743 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7233 0.3281 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 1.9595 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.5246 0.2121 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 4 5 1 0 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 M END