HMDB0000197 RDKit 3D Indoleacetic acid 22 23 0 0 0 0 0 0 0 0999 V2000 2.1212 -0.6625 1.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -0.5866 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 -1.2027 0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 0.1974 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 0.7740 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 2.0709 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 2.1400 0.3777 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 0.9267 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 0.4937 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 -0.8250 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -1.6830 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -1.2678 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3953 0.0677 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 -2.2280 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7636 1.0410 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 -0.4620 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 2.9071 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 2.9825 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4302 1.1985 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0076 -1.2245 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 -2.7329 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -1.9247 -0.7202 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 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 5 1 0 13 8 1 0 3 14 1 0 4 15 1 0 4 16 1 0 6 17 1 0 7 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 M END