HMDB0036228 RDKit 3D 2-Methylpropyl hexanoate 32 31 0 0 0 0 0 0 0 0999 V2000 4.0499 1.0227 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -0.4862 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.9942 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 -0.3879 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 -0.8352 1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -0.2737 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 -0.5492 2.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 0.5778 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 1.1039 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2342 0.0987 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5404 0.8791 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1882 -0.6930 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 1.4698 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 1.3529 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 1.4039 0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -0.8368 -1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9745 -0.9500 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 -0.6909 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 -2.1076 0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9696 0.7106 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -0.6575 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 -0.5136 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9029 -1.9484 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 1.7457 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 1.7669 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -0.5434 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3881 0.1540 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6635 1.4448 -0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5655 1.5356 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1319 -0.6001 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -0.4068 -1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -1.7919 -0.8032 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 2 0 6 8 1 0 8 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