HMDB0013899 RDKit 3D 3-Hydroxyvalproic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -3.3312 -1.0442 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 -0.7705 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 0.3415 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 0.9436 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 2.0371 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 2.2402 1.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 2.7969 1.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 0.1334 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 1.1182 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -0.8229 -0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 -1.4936 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 -1.8164 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 -1.3053 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 -0.0525 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 -0.5014 -1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -1.7387 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -0.0361 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 1.1221 0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 1.5570 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 2.9844 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 -0.3751 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0937 1.4236 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7427 -1.6254 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 -0.2705 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -2.3179 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 -1.8183 0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.7090 -0.5500 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 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 1 0 10 11 1 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 4 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END