HMDB0001877 RDKit 3D Valproic acid 26 25 0 0 0 0 0 0 0 0999 V2000 2.8499 0.8540 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 0.8024 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 0.0535 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2394 -0.1274 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.8441 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -0.3553 -1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 1.0578 -0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 -0.9172 2.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -0.4966 3.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5144 -2.1555 2.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 1.7250 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 0.8543 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1522 -0.0566 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 0.3514 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 1.8218 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 -0.9428 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 0.5697 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 0.8535 1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 -1.9136 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 -1.0397 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 -0.9810 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 -0.4796 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2482 1.0928 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 1.7497 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4326 1.3395 -2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 -2.8160 1.5563 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 1 0 6 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 M END