HMDB0006471 RDKit 3D Methylisocitric acid 24 23 0 0 0 0 0 0 0 0999 V2000 -2.1972 -0.6839 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -0.6412 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -1.9944 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 0.1862 1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 1.4089 1.1535 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3717 -0.3652 2.5491 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -0.2478 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -0.2014 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 0.1828 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6267 0.4138 -1.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8177 0.2654 0.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 0.9403 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3212 0.9108 -2.7333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 2.1895 -0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 -1.4848 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3404 0.3042 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 -0.9942 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6262 -1.9700 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 0.0459 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -1.1153 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 0.5268 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 -1.1825 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 0.4499 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 3.0562 -1.4186 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 2 0 4 6 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 7 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 11 23 1 0 14 24 1 0 M END