HMDB0002302 RDKit 3D Indole-3-propionic acid 25 26 0 0 0 0 0 0 0 0999 V2000 3.7198 0.2709 2.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 -0.0574 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0234 -0.2860 0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -0.2060 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 0.0765 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 -0.1006 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 -0.4597 -1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.5077 -1.9263 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -0.1828 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -0.0682 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 0.2881 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 0.5452 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 0.4310 1.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 0.0760 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6379 0.4472 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 0.4257 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 -1.2845 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -0.6415 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 1.0942 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 -0.6703 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -0.7411 -2.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8637 -0.2745 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 0.3728 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 0.8282 2.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1594 0.6246 2.2775 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 6 1 0 14 9 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END