HMDB0013897 RDKit 3D 4-ene-Valproic acid 24 23 0 0 0 0 0 0 0 0999 V2000 -2.9591 -1.4188 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 -0.5831 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 0.6136 0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 0.5961 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -0.6224 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8124 -0.7097 -0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 -0.7539 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 1.8583 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 1.8675 -1.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 3.0596 0.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 -2.3036 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -1.2495 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.7987 2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 0.6827 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 1.5017 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 0.5038 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -1.5442 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -0.6189 -1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -1.7114 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 0.0340 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.8350 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -1.5580 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 0.2010 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6934 3.7888 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 2 13 1 0 3 14 1 0 3 15 1 0 4 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