HMDB0013902 RDKit 3D 2-ene-Valproic acid 24 23 0 0 0 0 0 0 0 0999 V2000 2.5574 -1.3245 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -1.1518 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 0.2734 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2263 0.9011 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 0.4043 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -0.9266 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 -0.7314 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 2.3893 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 3.0233 0.4268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 3.0149 0.9709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -0.7154 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -2.3996 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 -0.9267 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -1.6264 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6874 -1.7773 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 0.8285 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 1.0288 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7941 0.8549 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 -1.6627 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1749 -1.4003 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -1.6891 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -0.3503 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9976 0.0616 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 3.9020 1.4237 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 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 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 10 24 1 0 M END