HMDB0030774 RDKit 3D (+)-12a-Hydroxypachyrrhizone 42 47 0 0 0 0 0 0 0 0999 V2000 4.1554 2.4957 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 1.1527 -1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 0.3036 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 0.2628 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 -0.5795 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 -1.3345 1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -1.2565 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 -1.8673 1.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 -1.3645 1.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 -0.5165 0.3623 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 -0.4418 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 -0.6275 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 -1.5504 1.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 0.4986 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 1.6757 0.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 0.1537 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9636 -0.2480 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2931 -0.5756 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8837 -0.4995 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 -0.1015 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 0.2323 -1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 0.6364 -2.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 1.4171 -2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1513 0.5935 -1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 1.0242 -1.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2161 -0.8870 -0.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2936 -1.5807 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2542 -1.0060 1.5927 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 2.8427 -0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 3.1963 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1107 2.5416 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 -1.9701 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -2.5780 2.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7614 -1.6819 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 2.4746 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4855 -0.3045 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 -0.0367 -2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 1.6188 -3.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 2.3673 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 -0.4606 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0862 -2.6496 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2775 -1.3695 1.3253 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 2 0 9 10 1 0 10 11 1 0 5 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 19 26 1 0 26 27 1 0 27 28 1 0 11 3 1 0 24 14 1 0 25 4 1 0 11 7 2 0 21 16 1 0 28 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 15 35 1 0 17 36 1 0 20 37 1 0 23 38 1 0 23 39 1 0 24 40 1 0 27 41 1 0 27 42 1 0 M END