HMDB0002096 RDKit 3D 3-Indolebutyric acid 28 29 0 0 0 0 0 0 0 0999 V2000 3.6273 1.5852 -1.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 1.2117 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 1.5096 0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0596 0.3910 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 0.1356 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 -0.7125 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -1.0452 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -2.2297 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0868 -2.1594 -0.8595 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -0.9331 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -0.3440 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 0.9591 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 1.6794 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 1.0644 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -0.2197 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 0.8121 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -0.6072 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 0.9044 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 -0.3776 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 1.1045 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 -1.6308 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 -0.0871 1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 -3.0848 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 -2.8768 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 -0.8366 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9231 1.4742 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 2.6961 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 1.6172 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 7 1 0 15 10 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END