HMDB0258526 RDKit 3D 3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-YL)methylene]-2-indolinone 38 40 0 0 0 0 0 0 0 0999 V2000 -3.2752 1.0043 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 0.2606 -2.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 0.0854 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.6406 -2.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 -0.9547 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -1.7121 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4975 -1.5199 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 -2.4118 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 -3.4712 1.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -1.8959 1.8239 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 -0.7010 1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.1865 1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 1.3028 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 1.5542 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 0.6724 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -0.4492 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 -0.3913 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 -0.4329 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 0.8723 1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 0.7387 2.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -0.2949 2.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 1.7888 3.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5884 0.8620 -3.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1441 0.6362 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 2.0549 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 0.4631 -3.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 -0.8965 -2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -2.6168 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0653 -2.3104 2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.0322 1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 1.9623 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5444 2.4449 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 0.8973 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6229 -0.5803 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -1.2391 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 1.0338 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 1.7265 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4545 2.0038 3.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 5 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 17 2 1 0 16 7 1 0 16 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 6 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 18 35 1 0 19 36 1 0 19 37 1 0 22 38 1 0 M END