HMDB0000535 RDKit 3D Caproic acid 20 19 0 0 0 0 0 0 0 0999 V2000 -2.5829 -0.2209 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6668 0.8300 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3203 0.2271 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3249 -0.3586 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 -0.9909 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6878 -0.1074 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -0.5330 -0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 1.2172 -0.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6308 0.0538 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 -0.2429 1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -1.2225 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 1.6254 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1553 1.2915 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 -0.5686 -1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 0.9922 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 -1.0585 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 0.4722 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 -1.4331 1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -1.8922 -0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 1.9193 0.2201 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 2 0 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 8 20 1 0 M END