HMDB0012149 RDKit 3D 2-Isopropyl-3-oxosuccinate 22 21 0 0 0 0 0 0 0 0999 V2000 -1.6772 0.6107 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 -0.2393 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 -1.6941 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 -0.0837 0.6769 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3703 1.3031 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 1.6210 2.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 2.3317 0.1853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 -0.4897 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 -0.9513 -1.4052 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -0.3572 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 0.1014 1.2963 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -0.7147 -0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.5583 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 0.2254 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 1.6679 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -0.0098 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 -2.3192 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -2.0773 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 -1.8705 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 -0.7230 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 3.1688 0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -0.0585 -1.2366 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 4 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 1 7 21 1 0 12 22 1 0 M END