HMDB0036760 RDKit 3D (ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid 54 57 0 0 0 0 0 0 0 0999 V2000 -2.7942 1.6744 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9149 0.2838 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 0.4185 1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2765 0.0679 3.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 0.9842 1.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.6222 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 -0.9543 -1.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7045 -0.6729 -1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 -0.9593 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -2.4962 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 -0.5304 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 -0.4963 -1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 -0.6681 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -0.4981 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -1.0710 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -0.1197 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -0.0750 1.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 0.5622 1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -0.3882 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 1.2218 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 0.9744 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4891 1.7612 -1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 1.2061 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 2.5290 0.9274 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 1.9135 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 1.8036 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 2.4677 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 1.8080 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0664 -1.5003 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7478 -0.0930 -0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -2.0515 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6653 -0.4425 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 0.2977 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 -1.4286 -2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 -2.8623 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.9342 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -2.7117 0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 -0.3419 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 -1.6842 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 0.0417 -2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 -0.9292 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -2.0947 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -1.0603 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 0.6300 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5978 -1.0289 2.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 0.7582 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5025 1.5033 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -1.2025 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 1.8173 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 1.7903 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 1.4157 -2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 0.9662 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 0.5024 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 2.5180 1.9143 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 3 5 1 0 2 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 16 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 19 2 1 0 19 9 1 0 16 11 1 0 21 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 M END