HMDB0035088 RDKit 3D Furfuryl thioacetate 18 18 0 0 0 0 0 0 0 0999 V2000 3.9294 -0.0590 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6158 0.6269 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 1.7713 1.0276 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -0.2026 0.0877 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 0.8933 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 0.1650 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.6018 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3167 -1.0824 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 -0.5868 -1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 0.1423 -1.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 0.6500 0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -0.6565 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -0.7769 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 1.2576 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 1.7799 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.7993 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -1.7249 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6256 -0.7962 -2.4699 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 6 1 0 1 11 1 0 1 12 1 0 1 13 1 0 5 14 1 0 5 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 M END