HMDB0037263 RDKit 3D HMBOA-Glc 44 46 0 0 0 0 0 0 0 0999 V2000 6.1320 2.1131 1.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 1.4686 2.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 0.7531 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6718 0.6716 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -0.0392 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -0.6710 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.6021 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 0.1117 1.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -1.2196 0.9355 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 -1.7593 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -0.9599 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 -1.4977 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0248 -1.5531 -0.4881 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -0.3732 -0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8286 -0.2311 -2.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 0.9510 -2.6008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 0.8529 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 1.2184 -1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 0.7981 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 1.6786 1.9763 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 -0.6115 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -1.0050 2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -2.0625 -1.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 -2.8712 -2.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -1.4214 -1.6628 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4834 2.8058 2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9571 1.4022 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9412 2.7488 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 1.1733 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -0.1147 -2.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 0.1777 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1257 -2.7457 0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -2.5451 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 -0.3129 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 -1.0645 -2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -0.3325 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 1.2841 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 1.7044 -0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 2.1592 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 1.1378 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4856 1.2746 2.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.6889 2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -0.3137 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -1.4896 -2.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 23 1 0 23 24 2 0 23 25 1 0 8 3 1 0 21 12 1 0 25 6 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 10 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 25 44 1 0 M END