HMDB0006009 RDKit 3D Isoputreanine 27 26 0 0 0 0 0 0 0 0999 V2000 -4.2456 0.7593 0.4025 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 -0.4913 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -0.9446 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5551 0.0664 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 -0.3989 0.0175 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 0.5572 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 -0.0997 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 0.9391 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 0.2559 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5273 0.9831 0.6873 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6914 -1.1046 0.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 0.9280 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 0.8555 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 -1.2952 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 -0.4173 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -1.9214 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -1.0075 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 0.1070 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 1.0768 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 -1.3669 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 1.0384 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 1.3935 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 -0.6712 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 -0.8281 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 1.7046 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 1.4341 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5089 -1.5524 -0.0894 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 5 6 1 0 6 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 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 11 27 1 0 M END