HMDB0039185 RDKit 3D 1,4,6-Trigalloyl-beta-D-glucopyranose 69 72 0 0 0 0 0 0 0 0999 V2000 -0.8719 -4.0905 -0.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 -3.1639 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -1.9208 0.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -1.5868 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0424 -0.0902 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 0.4162 1.5266 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 0.8325 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0577 -0.1515 0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3975 0.0238 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 1.1083 1.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 -0.9681 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7274 -0.7057 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7509 -1.5915 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0505 -1.2981 0.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -2.7874 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 -3.6815 -0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -3.0648 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 -4.2984 -1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1478 -2.1729 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 1.3722 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 1.3106 -1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3466 0.7033 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 1.4953 -2.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 0.6027 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.9344 0.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 2.4470 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 1.6899 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 3.8174 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 4.7161 1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0304 6.0322 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 6.8955 1.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 6.4727 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 7.7589 1.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2637 5.5540 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5807 6.0178 0.6236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 4.2863 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1042 -3.4483 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -4.7255 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7336 -5.0286 -1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 -6.3140 -1.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7268 -4.0720 -1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0295 -4.3305 -1.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -2.7854 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3422 -1.8261 -0.8765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 -2.4931 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 -2.1604 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -1.7597 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -0.0120 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 1.6841 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 0.2363 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2548 -0.4210 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 -3.4745 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6291 -4.9694 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1385 -2.4140 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 2.4720 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9211 0.3715 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -0.2967 -1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 2.4023 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 0.0326 -0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 4.4086 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 7.8326 2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 8.4764 1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2937 5.3848 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 3.5915 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 -5.5448 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4588 -7.0945 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2633 -5.2669 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1198 -0.8902 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 -1.4802 -0.1592 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 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 7 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 2 0 2 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 2 0 24 5 1 0 36 28 1 0 45 37 1 0 19 11 1 0 4 46 1 0 4 47 1 0 5 48 1 0 7 49 1 0 12 50 1 0 14 51 1 0 16 52 1 0 18 53 1 0 19 54 1 0 20 55 1 0 21 56 1 0 22 57 1 0 23 58 1 0 24 59 1 0 29 60 1 0 31 61 1 0 33 62 1 0 35 63 1 0 36 64 1 0 38 65 1 0 40 66 1 0 42 67 1 0 44 68 1 0 45 69 1 0 M END