HMDB0304381 RDKit 3D indole-3-acetyl-glycine 28 29 0 0 0 0 0 0 0 0999 V2000 3.7338 1.7267 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 0.8813 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7777 1.2297 -1.1164 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4242 -0.5377 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 -0.6509 0.6731 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 -0.3618 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -0.0123 -1.1967 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 -0.4740 0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -0.1905 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 -0.0534 -1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 0.1964 -1.7353 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7098 0.2211 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0641 0.4329 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 0.3978 1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.1617 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -0.0438 1.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8028 -0.0156 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 -1.1765 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2682 -0.8316 0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -0.9543 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 -1.5014 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 0.2582 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0555 -0.1337 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 0.3473 -2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7484 0.6159 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5012 0.5610 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 0.1389 3.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -0.2316 2.5332 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 4 18 1 0 4 19 1 0 5 20 1 0 8 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 M CHG 1 3 -1 M END