HMDB0029275 RDKit 3D Gallagic acid 56 63 0 0 0 0 0 0 0 0999 V2000 -6.0453 -2.1253 2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 -1.8052 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9265 -1.1337 2.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -0.4015 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 0.5054 1.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 1.4931 2.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 0.5168 1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 1.4140 1.9746 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 1.4910 1.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 2.3716 2.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 0.5974 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -0.3967 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5238 -1.4419 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -2.3929 -0.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 -2.4520 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1732 -3.4438 -1.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 -1.4767 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -0.4636 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -1.4873 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6407 -1.7616 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 -2.1143 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9341 -2.5352 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8554 -2.6005 -2.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 -3.0313 -2.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 -2.2442 -2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5779 -2.2955 -4.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5649 -1.8180 -1.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -1.4537 -2.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8811 -1.4653 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -2.5118 -1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -0.5029 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9995 -0.5083 -0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 0.3843 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 0.3287 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3163 1.5432 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 2.6090 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6291 3.8679 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4424 5.0004 1.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 3.9708 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7972 5.2771 1.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 2.8829 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 3.2698 1.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 1.5710 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 0.5751 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 0.1719 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 2.4427 2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 -2.4354 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8554 -2.8110 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9979 -3.1021 -3.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3268 -2.5869 -4.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 -1.4925 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -3.2364 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 2.4894 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4249 4.9064 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 5.6413 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 4.2065 1.0819 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 13 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 21 2 1 0 44 31 2 0 19 4 1 0 27 20 1 0 43 35 1 0 18 7 1 0 44 11 1 0 18 12 1 0 4 45 1 0 6 46 1 0 19 47 1 0 22 48 1 0 24 49 1 0 26 50 1 0 28 51 1 0 30 52 1 0 36 53 1 0 38 54 1 0 40 55 1 0 42 56 1 0 M END