HMDB0034234 RDKit 3D Ethyl (±)-3-methylpentanoate 26 25 0 0 0 0 0 0 0 0999 V2000 4.4501 0.0407 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -0.5742 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 0.2751 0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 0.0205 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 -1.0355 -0.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 0.8783 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 0.1926 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 1.2624 1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -1.0071 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.7359 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -0.7101 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2545 0.3146 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 0.9136 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 -0.6399 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -1.5826 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 1.7703 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 1.3326 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 -0.0951 1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 0.7750 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 1.9211 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 1.8811 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -1.3766 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 -1.8521 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 -0.8306 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -1.4315 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 0.2935 -1.6366 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 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 8 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