HMDB0036209 RDKit 3D Propyl 2-methylpropanoate 23 22 0 0 0 0 0 0 0 0999 V2000 3.8577 -0.3085 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -0.8221 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 0.2630 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -0.0986 -0.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8029 0.8173 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 1.9499 0.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 0.5259 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 0.2077 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 -0.5497 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 -0.3092 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -0.9118 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 0.7657 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -1.7683 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -1.0674 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 1.1292 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 0.6390 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 1.4471 0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -0.8104 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 1.0023 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8698 0.3117 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 -0.3959 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 -1.5659 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -0.4509 1.4421 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 2 0 5 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 M END