HMDB0038728 RDKit 3D beta-Glucogallin 39 40 0 0 0 0 0 0 0 0999 V2000 1.0020 -1.3377 1.5235 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2659 -0.6325 0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 -0.1427 -0.2149 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -0.4270 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 0.7958 0.4087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 0.6107 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 1.9575 1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8461 2.6028 0.0629 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 -0.3114 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -1.4779 1.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 -0.5231 -1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 0.7256 -1.6711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8665 -1.1054 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -2.4789 -0.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 -0.3437 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 0.4441 -0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 0.7582 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 1.5608 -2.4121 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 0.2720 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5195 0.5774 -0.9056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -0.5154 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 -1.0104 1.3249 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 -0.8397 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -1.0651 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 0.1961 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 1.8573 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 2.6401 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 3.4148 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8382 0.2057 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7944 -2.0175 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8978 -1.1842 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4967 0.6616 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -0.9096 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 -2.9306 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 0.8395 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 1.9295 -2.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 0.2348 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9152 -1.5809 2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -1.4507 1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 2 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 13 4 1 0 23 15 1 0 4 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 18 36 1 0 20 37 1 0 22 38 1 0 23 39 1 0 M END