HMDB0000339 RDKit 3D 2-Methylbutyrylglycine 24 23 0 0 0 0 0 0 0 0999 V2000 -3.3634 0.4052 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 0.2303 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 -0.3679 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1714 0.4815 -1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -0.4402 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 -0.0259 1.4237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3021 -0.9617 -0.5971 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 -1.0068 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 0.3608 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3873 1.3660 0.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 0.4742 0.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 1.3264 0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 -0.4815 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 0.4198 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 1.1712 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 -0.5053 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 -1.4097 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 0.2254 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 0.2920 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 1.5451 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0069 -1.2886 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -1.6222 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.4776 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 1.2897 0.3122 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 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 11 24 1 0 M END