HMDB0038227 RDKit 3D Isopropyl 2-methylpropanoate 23 22 0 0 0 0 0 0 0 0999 V2000 -2.8155 0.9873 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 -0.1765 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.3309 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 0.1747 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 0.1570 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 -0.1923 -1.6864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 0.5657 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -0.3790 1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 0.5294 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 1.2802 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8316 0.5866 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 1.8023 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8786 -0.4736 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 -1.7050 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -2.1380 0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 -0.9680 1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6658 1.5673 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -0.2920 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 -1.4188 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 -0.1763 1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 0.6343 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 1.3922 -1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 -0.4266 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 3 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