HMDB0000892 RDKit 3D Valeric acid 17 16 0 0 0 0 0 0 0 0999 V2000 -2.3137 0.7689 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9656 0.1042 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 -0.0787 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 -0.7377 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 0.1223 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 1.2796 0.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 -0.3355 0.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 0.7310 1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9479 0.2327 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 1.8135 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.9343 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 0.6877 1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 -0.6655 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 0.9206 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6474 -0.9937 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -1.6618 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -1.2533 0.5814 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 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 7 17 1 0 M END