HMDB0000734 RDKit 3D Indoleacrylic acid 23 24 0 0 0 0 0 0 0 0999 V2000 4.3339 -1.3555 0.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 -0.2533 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 0.7586 0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -0.0153 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5678 -0.9688 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 -0.9407 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 -2.0789 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 -1.8008 0.4909 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 -0.5232 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 0.2568 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9804 1.5536 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 2.0835 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 1.3254 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 0.0190 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 1.5350 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 0.9407 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 -1.9077 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -3.0273 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 -2.4668 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1315 -0.1739 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 2.1783 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 3.1146 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 1.7466 -0.5291 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 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 5 17 1 0 7 18 1 0 8 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 13 23 1 0 M END