HMDB0038260 RDKit 3D Geranyl 2-methylpropanoate 40 39 0 0 0 0 0 0 0 0999 V2000 -4.8466 0.4245 1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3457 -0.6943 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2888 -1.7410 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0529 -0.7373 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 0.2859 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 1.1179 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 0.4343 -1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 -0.5694 -2.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 0.6802 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 1.6443 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 0.9080 0.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 0.2727 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 0.3125 -1.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 -0.5068 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1937 0.4956 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5009 -1.0313 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9527 0.3284 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3459 0.4026 2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5596 1.3678 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -1.2339 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4358 -2.5446 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8152 -2.1336 -0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 -1.5669 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.0200 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 -0.1728 1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 1.6342 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 1.9632 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6323 -0.4661 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 -0.4566 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 -1.5887 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 0.0977 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 2.1299 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 2.4224 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0178 -1.2709 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1093 0.0338 1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 0.8458 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 1.3880 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -2.0107 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4797 -1.1600 -0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 -0.3246 -1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 M END