HMDB0255797 RDKit 3D 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid 39 42 0 0 0 0 0 0 0 0999 V2000 1.3779 -2.4039 -1.7611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -2.6571 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2718 -3.7492 -1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -1.8366 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 -1.4496 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 -0.6815 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -0.5056 -1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 0.2738 -1.9703 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 0.5802 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5462 1.3409 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2236 1.5322 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 0.9668 1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 0.2165 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 0.0109 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 -0.8696 0.5076 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 0.2961 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 0.7994 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 0.9611 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.0958 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8526 2.4727 0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 1.7189 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 0.5842 2.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 0.2185 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.9001 1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -1.7891 2.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9528 -3.8579 -1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -2.6650 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4451 -2.4200 1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9032 -0.9080 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8164 -0.8796 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 0.5588 -2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9742 1.8098 -1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1256 2.1251 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2685 1.1238 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -0.2142 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 2.7028 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 3.3645 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2226 2.0448 2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0294 -0.0107 2.8312 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 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 4 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 14 6 1 0 24 15 1 0 14 9 1 0 23 18 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 M END