HMDB0039217 RDKit 3D Isopropyl 2-methylbutanoate 26 25 0 0 0 0 0 0 0 0999 V2000 2.4432 1.2723 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 0.1711 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -0.9970 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 -1.5866 0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.6203 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 -0.7598 1.6534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9376 -0.1158 -0.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 0.2487 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 1.6711 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 -0.6757 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 1.7174 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2211 0.9418 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 2.0863 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 0.5510 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 -0.1779 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 -1.7909 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.8351 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -2.4250 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 -1.9800 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2082 0.0867 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 2.3671 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6681 1.7208 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 1.8855 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 -0.8415 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 -0.2669 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 -1.6475 0.1571 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END