HMDB0256772 RDKit 3D Prim-O-glucosylcimifugin 61 64 0 0 0 0 0 0 0 0999 V2000 2.5365 -0.5852 -3.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 0.4674 -2.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 0.2308 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 0.1082 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 -0.1265 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 -0.2322 1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1392 -0.1104 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -0.2145 1.3749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -0.1082 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -0.2377 1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -0.0285 0.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -0.1309 1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4943 1.0121 1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2649 1.2967 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5789 2.0909 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 1.4716 -1.5387 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9627 0.1258 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2483 -0.2769 -1.6596 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9138 -1.0300 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6047 -2.1271 -0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4425 -1.3498 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8817 -1.6471 -0.6351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 0.1267 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 0.2453 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 0.4584 -2.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 0.1237 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -0.2195 1.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7576 -0.4161 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0106 0.3899 0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 0.1730 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 -0.0231 2.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5915 1.7193 0.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 0.1722 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 -1.5019 -3.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0164 -0.2986 -4.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.8890 -3.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -0.4173 2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -1.2644 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 0.5202 2.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 -0.3681 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0997 1.9718 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 3.0947 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 2.3206 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 2.1784 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9937 0.3284 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7132 -0.9219 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2697 -0.6653 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2361 -2.9379 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2849 -2.2622 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 -2.0099 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 0.2139 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 -1.4925 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 -0.0702 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 1.0952 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6521 -0.6897 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 0.3399 2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 -1.1135 2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5235 0.4687 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 2.2528 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3386 1.2269 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -0.4572 -1.6828 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 1 0 8 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 9 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 5 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 28 33 1 0 26 3 1 0 33 4 1 0 26 7 2 0 21 12 1 0 1 34 1 0 1 35 1 0 1 36 1 0 6 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 28 52 1 0 30 53 1 0 30 54 1 0 30 55 1 0 31 56 1 0 31 57 1 0 31 58 1 0 32 59 1 0 33 60 1 0 33 61 1 0 M END