HMDB0061881 RDKit 3D 4-Acetylbutyrate 19 18 0 0 0 0 0 0 0 0999 V2000 -2.4619 -0.2097 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 0.1906 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 1.1376 0.8128 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 -0.5325 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 -0.1553 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7314 -0.3859 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 0.2457 0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 -0.3076 1.7704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.5503 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 -1.0613 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7973 0.6662 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.3832 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -0.2825 -1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 -1.6453 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 -0.5302 -2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4322 0.9796 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.0318 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 -1.4888 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 2.2441 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 9 19 1 0 M END