HMDB0041593 RDKit 3D 4-Glucogallic acid 39 40 0 0 0 0 0 0 0 0999 V2000 6.3161 -0.9605 -0.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6221 0.0764 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 1.2692 -0.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 0.0210 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 1.1780 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 1.1337 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 2.2956 0.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 -0.0331 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -0.0732 1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 -0.2576 0.4263 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5656 0.9438 0.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 0.6680 -0.7289 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8904 1.9229 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 2.4842 -1.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -0.0448 -0.0705 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6311 -0.3199 -0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1165 -1.3139 0.5293 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7311 -1.5457 1.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -1.4474 0.7281 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2121 -2.4945 -0.1226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -1.1855 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 -2.4231 1.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -1.1535 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.1227 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 2.1281 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 3.1606 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -0.3781 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -0.0086 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 1.6950 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4298 2.6279 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 3.1118 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0443 0.5912 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2086 -0.5935 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -2.1651 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6739 -2.5194 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 -1.8608 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 -2.0547 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 -2.5587 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -2.0383 0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 1 0 21 22 1 0 21 23 2 0 23 4 1 0 19 10 1 0 3 24 1 0 5 25 1 0 7 26 1 0 10 27 1 6 12 28 1 6 13 29 1 0 13 30 1 0 14 31 1 0 15 32 1 1 16 33 1 0 17 34 1 6 18 35 1 0 19 36 1 1 20 37 1 0 22 38 1 0 23 39 1 0 M END