HMDB0039625 RDKit 3D 2-Galloylglucose 39 40 0 0 0 0 0 0 0 0999 V2000 -0.8814 -0.7904 2.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -0.3010 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 0.0257 0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -0.1608 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 1.1849 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 2.1356 -0.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 1.2168 -0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7272 0.0119 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 0.1363 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 1.0914 1.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.9870 -0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 -2.1872 -0.8265 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 -1.1444 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -1.1484 -1.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 -0.0783 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 -0.4312 1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -0.2098 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9268 -0.5353 1.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 0.3275 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5399 0.5231 -0.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 0.6649 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 1.2151 -2.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 0.4606 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.6039 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 1.5602 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 2.2123 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 -0.2613 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 -0.8641 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 0.3889 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 0.7289 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 -0.5108 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -2.5540 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6176 -2.1847 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 -0.8030 -2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -0.8548 2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8928 -0.3878 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 0.9198 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 1.4645 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 0.7300 -1.4315 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 2 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 13 4 1 0 23 15 1 0 4 24 1 0 5 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 18 36 1 0 20 37 1 0 22 38 1 0 23 39 1 0 M END