HMDB0015039 RDKit 3D Ethacrynic acid 31 31 0 0 0 0 0 0 0 0999 V2000 -2.7182 0.5072 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 -0.4041 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 -0.8290 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -0.1400 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 -1.0221 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -1.8812 1.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 -0.6502 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 0.0288 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 0.3986 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2645 0.0869 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 0.4494 -1.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 1.1222 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 0.2576 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 0.6629 1.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 -1.0416 0.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 -0.5945 -1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 -0.9783 -3.2881 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 -0.9520 -1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -1.8356 -1.9872 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 0.9550 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7726 0.8440 -1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 -1.9362 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8808 -0.5841 2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -0.2512 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 -0.4919 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0288 0.9509 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 0.2988 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7279 0.9556 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2825 1.3472 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 2.1005 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -1.7931 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 2 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 18 7 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 15 31 1 0 M END