HMDB0240661 RDKit 3D Indole-3-acetylglycine 29 30 0 0 0 0 0 0 0 0999 V2000 3.5491 1.5675 1.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 1.2916 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 1.9080 0.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 0.2754 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 -0.2437 0.6028 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 -1.1955 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.5867 -1.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1481 -1.7952 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -1.4279 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7153 -2.1666 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -1.4842 -1.7864 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7784 -0.2779 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6173 0.8088 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4291 1.9330 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 1.9716 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5315 0.8998 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 -0.2154 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 1.4989 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 0.7321 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -0.5755 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 0.1098 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 -1.4455 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 -2.9190 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 -3.1811 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4157 -1.8276 -2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 0.8307 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 2.8077 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 2.8345 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 0.8723 1.2806 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 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 9 1 0 17 12 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 M END