HMDB0039180 RDKit 3D Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 57 59 0 0 0 0 0 0 0 0999 V2000 1.8488 4.4686 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 3.5496 0.3988 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 3.4490 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9389 2.1835 -1.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 1.1889 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 0.8082 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 0.3387 0.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 -0.8058 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 -1.4746 -0.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -1.3047 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 -0.6655 1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5612 -1.1271 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3924 -0.4611 2.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0058 -2.2635 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2931 -2.7452 1.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -2.9151 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6363 -4.0574 -0.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -2.4439 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 1.5295 -1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1258 0.5256 -0.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -0.3003 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1404 -0.1148 -2.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 -1.3306 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6574 -2.1022 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -3.0891 -0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 -3.8680 -1.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2893 -3.3053 0.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0359 -4.2868 1.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 -2.5223 1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -2.7231 2.8342 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -1.5458 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 2.9005 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 3.2394 -0.6926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 3.8662 -1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 5.1760 -1.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 4.4505 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 4.0711 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6264 5.4621 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 4.1515 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2723 0.2974 -1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 1.5700 1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -0.0694 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 0.2282 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 -0.8146 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 -3.5903 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0684 -4.5807 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -3.0027 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 1.5962 -2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7858 -1.9723 -2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4339 -3.7933 -2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9428 -4.4374 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 -2.1677 3.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9804 -0.9118 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3396 2.9711 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 3.5694 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8834 3.6374 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 5.5637 -1.8058 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 32 34 1 0 34 35 1 0 34 3 1 0 18 10 1 0 31 23 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 11 43 1 0 13 44 1 0 15 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 24 49 1 0 26 50 1 0 28 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 M END