HMDB0258836 RDKit 3D Terreic acid 17 18 0 0 0 0 0 0 0 0999 V2000 -2.0478 -0.8365 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 -0.3570 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 0.9295 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 1.8277 -0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 1.3248 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 2.5072 -0.0715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 0.2621 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -0.4197 0.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -0.6687 0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.2857 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -2.5012 0.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -1.6478 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 -1.1302 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 -0.0035 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 2.3490 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 -0.2065 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5182 -0.1434 1.7429 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 2 1 0 9 7 1 0 1 12 1 0 1 13 1 0 1 14 1 0 4 15 1 0 7 16 1 0 9 17 1 0 M END