HMDB0006005 RDKit 3D Indolylacryloylglycine 30 31 0 0 0 0 0 0 0 0999 V2000 5.9702 1.8248 -0.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 1.3457 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 1.1882 -1.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 0.9603 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 0.4563 0.4197 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 -0.7322 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -1.6897 -0.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -1.1420 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 -0.3072 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -0.7508 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 -2.0340 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 -2.0240 -0.2377 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 -0.7832 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 -0.2280 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7811 1.1245 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6846 1.9320 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 1.3829 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 0.0302 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 1.0184 -2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 0.2736 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2144 1.8707 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 -2.1605 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -2.1667 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 0.7073 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -2.8677 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 -2.8404 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5394 -0.8390 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8016 1.5212 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 2.9790 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 1.9503 0.6654 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 10 1 0 18 13 1 0 3 19 1 0 4 20 1 0 4 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 M END