HMDB0257872 RDKit 3D Wushanicaritin 50 52 0 0 0 0 0 0 0 0999 V2000 4.9128 4.0781 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 2.7392 0.1651 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 1.7042 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 1.9301 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0706 0.8954 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -0.4300 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 -1.4713 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 -1.1357 0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 -1.9929 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 -1.4772 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -0.0502 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 0.7725 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 2.2313 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 2.5711 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 2.8596 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 2.8639 -1.7016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -2.3546 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4346 -1.8595 0.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9491 -3.6987 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 -4.2292 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 -5.5570 -0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -3.3428 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -3.7566 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 -4.9576 -0.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7141 -2.7953 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 -3.2624 -0.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 -0.6079 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 0.4273 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 4.1469 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 4.5291 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8273 4.6266 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 2.9624 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.0787 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 0.1587 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 0.3192 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 0.6862 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 0.3457 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 1.9543 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8222 3.6683 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5943 2.4960 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 2.3515 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 2.9218 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 3.9019 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 2.3054 -2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 -2.4576 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -4.3995 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -6.1436 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 -4.2151 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2331 -1.5760 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 0.2454 -0.2196 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 10 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 6 27 1 0 27 28 2 0 28 3 1 0 25 7 2 0 22 9 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 18 45 1 0 19 46 1 0 21 47 1 0 26 48 1 0 27 49 1 0 28 50 1 0 M END