HMDB0249153 RDKit 3D beta-Zearalanol 49 50 0 0 0 0 0 0 0 0999 V2000 0.4662 -2.9066 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 -2.3037 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.5499 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -1.1793 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 -0.2304 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1716 1.2545 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1812 1.3796 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 1.5568 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 2.9003 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 2.6534 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 2.2209 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 0.7661 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 0.1782 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3045 0.7022 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 0.2909 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7087 0.8600 -0.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4766 -0.6838 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2496 -1.2097 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2639 -2.2061 2.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.7947 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8028 -1.4313 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 -1.8891 2.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 -1.5723 0.4781 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -3.5380 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -2.1371 -2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -3.5767 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -3.2099 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 -0.8042 -1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8829 -2.3493 -1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 -2.1459 0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3541 -0.8843 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 -0.4660 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -0.3108 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 1.8870 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 1.1349 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 1.4418 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 0.8558 0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 3.6773 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 3.2912 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 1.9108 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 3.6105 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 2.7482 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 2.6505 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 0.7049 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 0.1482 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 1.4722 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 0.6002 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -1.0302 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1561 -2.4869 2.4428 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 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 2 1 0 20 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 14 46 1 0 16 47 1 0 17 48 1 0 19 49 1 0 M END