HMDB0034242 RDKit 3D alpha-Hydrojuglone 4-O-b-D-glucoside 42 44 0 0 0 0 0 0 0 0999 V2000 2.6063 1.2505 2.9721 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 0.9977 1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.4105 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6585 -0.7055 1.0862 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -0.1339 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2456 -0.4035 -0.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 0.4654 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 1.8183 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 2.6589 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 2.1377 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5715 3.0040 0.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 0.7912 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 0.2271 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -1.1691 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 -1.9698 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 -1.4432 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -2.2450 -0.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 -0.0562 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7578 -0.6745 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 0.3611 -2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 -1.3465 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 -2.7102 -0.8158 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 -0.6870 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4198 0.5127 -0.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 0.4875 3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 1.7599 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 1.1578 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 -1.0855 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 0.9494 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 2.2787 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 3.7505 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5067 2.6940 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8474 0.8378 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1399 -1.5423 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 -3.0473 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -3.2429 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.4057 -1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.2303 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 -1.2499 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 -3.0658 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 -1.3609 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 0.5847 -0.0965 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 2 0 8 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 2 0 15 16 1 0 16 17 1 0 16 18 2 0 5 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 3 1 0 18 7 1 0 18 12 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 5 29 1 0 8 30 1 0 9 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 17 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 M END