HMDB0036302 RDKit 3D ent-16beta-Methoxy-19-kauranoic acid 58 61 0 0 0 0 0 0 0 0999 V2000 4.8789 0.8562 1.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 0.5459 2.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1222 -0.1780 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9175 -1.4763 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -0.5804 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.4780 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 -1.6746 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -1.7770 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 -0.5447 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0444 -0.6866 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5358 -2.0187 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 -0.7762 1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 -0.7562 2.8882 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8221 -0.8884 2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.3711 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 0.9370 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 0.8108 -1.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 0.7487 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 1.8837 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 0.7739 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 1.9163 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5529 1.8965 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 0.5534 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 -0.4129 -1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 1.4564 2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 1.4242 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5228 -0.0510 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 -1.3244 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 -1.7823 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -2.3193 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -0.0033 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 -1.6604 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3641 -1.6753 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 -2.5792 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -2.1983 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0097 -2.5757 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 -0.5061 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5933 -2.1166 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 -1.9450 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 -2.8816 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 -0.1660 1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -0.0725 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 1.1594 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8701 0.4953 -2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6639 2.0212 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -0.0779 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 1.6824 -2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0291 1.5309 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 2.6131 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 2.5429 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 0.9900 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 2.8532 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 1.9113 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7223 2.3581 -1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 2.5497 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2081 0.6439 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 0.0339 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -1.3765 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 3 1 0 20 6 1 0 24 6 1 0 18 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 11 39 1 0 11 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 M END