HMDB0032045 RDKit 3D Pentyl 3-methylbutanoate 32 31 0 0 0 0 0 0 0 0999 V2000 5.4499 0.0664 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 0.7756 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -0.2944 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 0.2982 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 -0.8574 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -0.4938 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 0.2213 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 0.5601 -1.6284 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6816 0.6525 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3906 0.2029 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8282 0.7103 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -1.3058 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -0.3969 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 0.7426 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -0.7806 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 1.3962 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 1.3705 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -0.9605 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -0.8509 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 0.8605 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 0.9797 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.4941 -0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -1.4913 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 0.2314 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 1.7546 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8953 0.6589 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5004 0.2422 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1815 0.4588 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 1.8262 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -1.7625 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -1.6702 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8526 -1.6506 1.6530 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 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 M END