HMDB0039183 RDKit 3D Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside 72 75 0 0 0 0 0 0 0 0999 V2000 1.2662 -3.8780 3.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6556 -2.7750 2.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -2.5351 1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 -1.2824 1.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 -0.4539 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -0.5347 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 -0.2144 -0.8474 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -0.8121 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 -1.7968 0.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -0.3405 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2581 0.7414 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 1.2508 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9402 2.3385 -1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5098 0.6685 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8178 1.1535 0.2232 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1178 -0.4127 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0613 -1.0071 1.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 -0.9217 0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 -0.3806 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 0.9285 -0.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 1.5285 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 0.9264 -2.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 2.8966 -1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 3.4874 -2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 4.7619 -2.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 5.4101 -3.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 5.4384 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 6.7036 -1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 4.8203 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 5.4758 1.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 3.5583 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -1.3503 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 -1.5434 0.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -1.3826 0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -1.0614 2.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6654 -1.5721 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6646 -1.3962 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0103 -1.5699 1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0389 -1.3997 2.0469 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3546 -1.9186 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6945 -2.0948 -0.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3623 -2.0962 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6883 -2.4446 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -1.9198 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1705 -2.6940 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 -3.6876 0.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 -3.7155 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 -3.9902 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 -4.7643 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -3.3429 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.5986 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -1.5588 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 0.1490 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 1.2117 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 2.8027 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0815 1.9486 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0023 -0.7035 1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5507 -1.7712 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -0.7644 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1153 2.9739 -3.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 6.3385 -3.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 7.1768 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 4.9984 1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 3.0439 0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 -1.0714 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4096 -1.1255 2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7871 -1.1378 3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9304 -2.3503 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9514 -2.5763 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 -2.0570 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 -2.7738 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 -4.1512 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 5 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 2 0 19 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 2 0 32 45 1 0 45 46 1 0 45 3 1 0 18 10 1 0 31 23 1 0 44 36 1 0 1 47 1 0 1 48 1 0 1 49 1 0 3 50 1 0 5 51 1 0 6 52 1 0 6 53 1 0 11 54 1 0 13 55 1 0 15 56 1 0 17 57 1 0 18 58 1 0 19 59 1 0 24 60 1 0 26 61 1 0 28 62 1 0 30 63 1 0 31 64 1 0 32 65 1 0 37 66 1 0 39 67 1 0 41 68 1 0 43 69 1 0 44 70 1 0 45 71 1 0 46 72 1 0 M END