HMDB0003320 RDKit 3D Indole-3-carboxylic acid 19 20 0 0 0 0 0 0 0 0999 V2000 2.0963 -2.0904 0.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 -0.9342 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6852 -0.5492 0.4948 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 0.0066 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 1.3028 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 1.8284 -0.5977 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 0.9397 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 0.9796 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7807 -0.1451 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -1.2896 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 -1.3084 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -0.2023 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 -0.4887 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 1.7659 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 2.7847 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 1.8929 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -0.1350 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -2.1710 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 -2.1868 0.8310 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 4 1 0 12 7 1 0 3 13 1 0 5 14 1 0 6 15 1 0 8 16 1 0 9 17 1 0 10 18 1 0 11 19 1 0 M END