HMDB0304385 RDKit 3D indole-3-acetyl-phenylalanine 41 43 0 0 0 0 0 0 0 0999 V2000 1.2049 -0.4450 -1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 -0.0031 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 0.9980 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 1.3864 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 2.5554 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1482 2.5622 -0.5325 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 1.4279 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9403 0.9392 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 -0.2945 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 -1.0005 1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.5284 1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 0.6909 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 -0.4808 -0.3531 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 -1.4683 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.9196 -1.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -0.4758 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 0.8242 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 1.2778 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6755 0.4260 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6896 -0.8799 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 -1.3198 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -2.7211 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 -2.6777 0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0017 -3.9337 -1.1039 O 0 0 0 0 0 1 0 0 0 0 0 0 0.3810 1.9052 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 0.6772 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 3.3708 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7411 3.3224 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7979 1.5372 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1673 -0.6768 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1863 -1.9713 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 -1.0783 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 -0.1105 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -1.7469 -1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 -0.1151 -2.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0643 -1.7148 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 1.5576 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 2.2996 0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4839 0.7177 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4651 -1.5552 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 -2.3584 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 14 22 1 0 22 23 2 0 22 24 1 0 12 4 1 0 21 16 1 0 12 7 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 M CHG 1 24 -1 M END