HMDB0248887 RDKit 3D 7-O-Methylbavachin 47 49 0 0 0 0 0 0 0 0999 V2000 1.8747 -3.3855 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 -2.5687 -0.8792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 -1.6343 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2251 -1.4527 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 -0.5198 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 0.2593 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 0.0703 1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -0.8531 0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 -1.0464 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 -0.3880 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 0.5976 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 1.0519 1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 1.2494 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 1.2373 1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2894 2.0761 2.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 1.1989 1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 0.8725 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 0.7423 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 1.1401 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3556 0.9893 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7453 0.4307 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1005 0.2754 -1.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7528 0.0299 -1.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 0.1851 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 -0.3402 -0.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8386 -2.9032 -2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 -3.7299 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -4.3351 -1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 -2.0414 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 0.6935 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 -2.1261 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -0.5251 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -0.7337 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 0.2113 2.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.9087 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 1.4180 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 2.1809 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 0.5364 -1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 1.5023 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 2.1748 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 0.3975 2.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 1.7375 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 1.5775 1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1498 1.3051 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5078 1.0806 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0837 -0.4082 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6638 -0.1387 -1.9496 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 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 6 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 17 25 1 0 8 3 1 0 24 18 1 0 25 5 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 7 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 M END