HMDB0039178 RDKit 3D 1,2-Digalloyl-beta-D-glucopyranose 54 56 0 0 0 0 0 0 0 0999 V2000 -3.4156 -1.3323 0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 -0.3339 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 -0.6003 0.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8092 -1.8731 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3065 -2.3573 1.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 -3.3879 1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -4.3766 2.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 -4.8494 2.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 -4.0880 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -4.6511 0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -3.2512 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 -3.9024 -1.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 -1.8384 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 -0.9140 -0.6757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 0.1508 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 0.2154 -2.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4429 1.0795 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 2.1124 -2.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 3.0262 -2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 4.0815 -3.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 2.8820 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 3.7689 -1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 1.8436 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3439 1.7014 0.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 0.9426 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 0.9889 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 2.0721 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 3.3300 1.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 4.3585 1.4999 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3663 3.5610 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 4.8198 1.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 2.4873 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5203 2.7530 0.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6323 1.2125 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 -2.5602 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -3.0060 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -3.9289 3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -5.2289 2.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 -5.7114 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -4.9696 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 -3.8513 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -3.1493 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -3.2746 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -1.5486 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 2.2774 -3.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 4.2514 -3.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7038 4.5359 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1168 2.3445 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 0.1370 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 1.8826 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2226 4.1806 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 5.5718 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1075 1.9719 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3226 0.4442 0.0399 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 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 2 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 2 0 13 4 1 0 25 17 1 0 34 26 1 0 4 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 18 45 1 0 20 46 1 0 22 47 1 0 24 48 1 0 25 49 1 0 27 50 1 0 29 51 1 0 31 52 1 0 33 53 1 0 34 54 1 0 M END