HMDB0001879 RDKit 3D Aspirin 21 21 0 0 0 0 0 0 0 0999 V2000 3.5316 0.6379 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 0.1251 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8138 -0.2915 1.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 0.0791 -0.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -0.4268 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 -1.7745 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 -2.3156 -0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5738 -1.5129 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.1680 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 0.4094 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 1.8247 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 2.3068 -0.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 2.6495 0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.3728 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 1.0706 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2314 -0.2279 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -2.4275 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 -3.3748 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -1.9416 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 0.5116 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 3.4738 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 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 11 13 1 0 10 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 13 21 1 0 M END