HMDB0041598 RDKit 3D 3-Galloylgallocatechin 51 54 0 0 0 0 0 0 0 0999 V2000 1.6739 -2.0875 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -0.9696 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 0.0869 -0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -0.0812 0.2956 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4344 0.7840 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 1.9439 1.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 2.7300 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 2.4495 3.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 3.8218 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9035 4.1219 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7273 5.2450 0.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 3.3119 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 2.2154 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 1.4111 -1.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 0.1198 -0.9379 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0951 -0.8321 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0189 -1.9863 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -2.8846 -1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 -4.0014 -2.7016 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 -2.6166 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3129 -3.5080 -1.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3648 -1.4731 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 -1.2508 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 -0.6144 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 -0.8465 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3857 -1.9395 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 -1.8662 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 -3.0277 -0.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 -0.6629 -0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6066 -0.5628 -1.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 0.4660 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9794 1.6715 -1.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 0.3564 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 -1.1626 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 0.1685 2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4776 1.1697 1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 1.6347 3.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 4.4905 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 5.4459 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 3.5278 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3339 -0.0735 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 -2.1813 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 -4.6817 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1764 -3.3052 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7601 -0.4537 0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 0.2630 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 -2.8863 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4592 -3.1116 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2252 -1.3496 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9556 1.7578 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 1.2236 -0.7275 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 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 2 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 15 4 1 0 24 16 1 0 33 25 1 0 13 6 1 0 4 34 1 1 5 35 1 0 5 36 1 0 8 37 1 0 9 38 1 0 11 39 1 0 12 40 1 0 15 41 1 6 17 42 1 0 19 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 26 47 1 0 28 48 1 0 30 49 1 0 32 50 1 0 33 51 1 0 M END