HMDB0303969 RDKit 3D (2R,3S)-2,3-dimethylmalate 19 18 0 0 0 0 0 0 0 0999 V2000 1.5597 0.2890 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 0.2484 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -0.8071 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -0.6841 1.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 -1.9604 1.5281 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.7127 0.1613 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 -1.0656 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 0.0858 1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 1.4031 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 1.6903 -1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9902 2.2714 0.1582 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5416 -0.2123 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -0.2606 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 1.3520 -1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 1.2540 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -1.7450 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -1.6444 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6915 -0.7737 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 0.3980 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 M CHG 2 5 -1 11 -1 M END