HMDB0258199 RDKit 3D Sec-o-Glucosylhamaudol 57 60 0 0 0 0 0 0 0 0999 V2000 7.5686 1.0165 2.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 0.8740 1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 1.5518 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 1.4642 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 2.0702 -1.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 0.6488 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 0.4999 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 1.1175 -2.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -0.3242 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 -0.9754 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2178 -0.8115 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 0.0012 0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.1234 1.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -1.8093 1.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 -2.1699 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 -3.0808 -0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0965 -2.8797 0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -0.8624 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 -0.9794 -1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -0.1568 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 -0.9066 -0.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 -0.1060 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9683 -0.3587 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8928 0.4459 0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 1.3457 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3502 2.0426 1.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 1.9131 -0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 2.8935 -0.4988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1635 0.8224 -1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 1.3642 -2.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.4632 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 1.9410 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 1.1331 3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2335 0.1652 2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 2.1801 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 1.7099 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 -1.3279 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -4.0970 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7239 -2.7899 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 -3.1715 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -3.0321 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 -2.3779 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7345 -3.8880 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 -0.1169 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1509 0.4192 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5873 -0.4522 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 -0.1850 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2456 -1.4167 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3389 1.0895 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 1.5396 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4246 1.9518 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7012 2.3587 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 2.6171 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 0.3516 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5293 1.8958 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 0.4784 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8437 -1.2867 -2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 18 31 1 0 13 2 1 0 29 20 1 0 12 6 1 0 31 9 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 8 36 1 0 11 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 20 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 31 57 1 0 M END