HMDB0002339 RDKit 3D 5-Methoxytryptophan 31 32 0 0 0 0 0 0 0 0999 V2000 4.3119 -0.0787 2.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 0.1962 2.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3932 0.0853 0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -0.3309 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 -0.4269 -1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -0.1131 -1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -0.1352 -2.7491 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 0.2635 -2.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 0.5450 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 1.0085 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 -0.1207 0.6561 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0412 -1.1436 -0.2689 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 0.4027 1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 1.3032 2.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0407 0.0117 1.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 0.3021 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 0.3991 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 -0.4269 3.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7973 -0.8383 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 0.8211 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 -0.5866 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 -0.7569 -2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -0.4040 -3.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7064 0.3500 -3.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8242 1.3734 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 1.8515 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 -0.5374 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.6873 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -1.7190 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 -0.6565 0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 0.7258 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 9 16 1 0 16 17 2 0 17 3 1 0 16 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 11 27 1 1 12 28 1 0 12 29 1 0 15 30 1 0 17 31 1 0 M END