HMDB0036230 RDKit 3D 1-Methyl-2-oxopropyl butyrate 25 24 0 0 0 0 0 0 0 0999 V2000 3.9647 0.7750 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7701 0.7702 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 0.0558 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 0.0514 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 0.5617 -1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -0.5288 0.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -0.5517 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 -2.0116 -1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9488 0.1713 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 0.8060 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0045 0.2584 -0.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -0.2042 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 1.5731 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8866 0.9426 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 0.2259 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 1.7892 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -0.9854 0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 0.5876 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 -0.0454 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 -2.2132 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 -2.6847 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 -2.3073 -2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 1.6658 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 0.0545 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 1.2439 1.2542 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 M END